butan-1-amine | Chemical Details

ID	HQABUPZFAYXKJW-UHFFFAOYSA-N
Formula	C4H11N
IUPAC Name	butan-1-amine
SMILES	CCCCN
Standard InChI	InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
Standard InChIKey	InChIKey=HQABUPZFAYXKJW-UHFFFAOYSA-N
Cite this record	http://www.chemrtp.com/chemical-info.ce?ID=HQABUPZFAYXKJW-UHFFFAOYSA-N	Copied

Other Names and Identifiers

Standard InChI (User Input)	InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
Standard InChIKey (User Input)	InChIKey=HQABUPZFAYXKJW-UHFFFAOYSA-N
Non-Standard InChI	InChI=1/C4H11N/c1-2-3-4-5/h2-5H2,1H3
Non-Standard InChIKey	InChIKey=HQABUPZFAYXKJW-UHFFFAOYAE
Other Names and Identifiers	butan-1-amine \| Butylamine \| 85404-21-3 \| 109-73-9 \| 50929-03-8 \| 42939-72-0 \| NSC8029 \| Norvalamine \| WLN: Z4 \| n-Butylamine \| 471305_SIAL \| NCIOpen2_009229 \| W313009_ALDRICH \| 1-AMINO-BUTANE \| InChI=1/C4H11N/c1-2-3-4-5/h2-5H2,1H \| LYT \| 1-Amino-butaan [Dutch] \| 1-Aminobutan [German] \| AI3-24197 \| CCRIS 4756 \| EINECS 203-699-2 \| FEMA No. 3130 \| FEMA Number 3130 \| HSDB 515 \| Monobutilamina [Romanian] \| NSC 8029 \| UN1125 \| n-Butilamina [Italian] \| n-Butylamin [German] \| n-Butylamine [UN1125] [Flammable liquid] \| 1-Amino-butaan \| 1-Aminobutan \| 1-Aminobutane \| 1-Butanamine \| 1-Butanaminen-butilamina \| BUTYLAMINE, N \| Mono-n-butylamine \| Monobutylamine \| N-Butylamin

Property

Value

Unit

Accuracy

Absolute Entropy of Ideal Gas at 298.15K and 1bar	86.4935	cal/mol/K
Acentric Factor	0.345625	dimensionless
Critical Compressibility Factor	0.275848	dimensionless	-
Critical Pressure	41.0067	bar
Critical Temperature	539.2987	K
Critical Volume	3.0163e-4	m3/mol
Enthalpy of Formation for Ideal Gas at 298.15K	-22.1608	kcal/mol
Liquid Molar Volume at 298.15K	9.9186e-5	m3/mol
Molecular Weight	73.1368	g/mol	-
Net Standard State Enthalpy of Combustion at 298.15K	-663.4444	kcal/mol	-
Normal Boiling Point	357.7419	K
Melting Point	223.7272	K
Refractive Index	1.3997	dimensionless
Solubility Parameter at 298.15K	8894.262	cal(1/2)/m(3/2)
Standard State Absolute Entropy at 298.15K and 1bar	62.7541	cal/mol/K
Standard State Enthalpy of Formation at 298.15K and 1bar	-31.1349	kcal/mol
Magnetic Susceptibility	57.9069	ppm
Polarizability	13.5014	A3
Flash Point	267.4418	K
Parachor	222.0033	cm3
Lower Flammability Limit Temperature	263.6734	K
Lower Flammability Limit Volume Percent	1.7002	vol%
Upper Flammability Limit Temperature	298.4617	K
Upper Flammability Limit Volume Percent	11.6446	vol%
Liquid Density at Normal Boiling Point	9432.264	mol/m3
Heat of Vaporization at 298.15K	8.5011	kcal/mol
Heat of Vaporization at Normal Boiling Point	7.6734	kcal/mol
Water Solubility	1.1361	log(mol/L)

1. Parity plot representing estimated values (x-axes) against the experimental values (y-axes) with the y=x line as a reference. If the estimated and experimental values agree, they should lie close to the y=x line. Upper and lower bar line (I) represents the experimental error range.	2. Statistical analysis representing the degree of agreement. The middle bar shows the portion of the estimated values within the experimental error range. The percentage of the middle bar indicates the level of estimation accuracy in general.