4-formylbenzoic acid | Chemical Details

ID	GOUHYARYYWKXHS-UHFFFAOYSA-N
Formula	C8H6O3
IUPAC Name	4-formylbenzoic acid
SMILES
Standard InChI
Standard InChIKey
Cite this record		Copied

Other Names and Identifiers

Standard InChI (User Input)	InChI=1S/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11)
Standard InChIKey (User Input)	InChIKey=GOUHYARYYWKXHS-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers	4-Formylbenzoic acid \| 4-methanoylbenzoic acid \| 619-66-9 \| ST5208668 \| InChI=1/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11 \| AIDS189650 \| 124915_ALDRICH \| Benzaldehyde-4-carboxylic acid \| FS000607 \| NCGC00091002-01 \| 21873_FLUKA \| 4-Carboxybenzaldehyde treated BSA \| 4-Carboxybenzaldehyde treated bovine serum albumin \| 4-Formyl-benzoic acid \| AIDS-189650 \| 4-Carboxybenzaldehyde \| Benzoic acid, 4-formyl- \| NSC15797 \| Terephthalaldehydic acid \| Terephthaldehydic acid \| p-Carboxybenzaldehyde \| p-Formylbenzoic acid \| 4-10-00-02752 (Beilstein Handbook Reference) \| 4-Carboxybenzaladehyde \| BRN 0471734 \| EINECS 210-607-4 \| HSDB 5719 \| NSC 15797

Property

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Accuracy

Absolute Entropy of Ideal Gas at 298.15K and 1bar	-	-	-
Acentric Factor	-	-	-
Critical Compressibility Factor	-	-	-
Critical Pressure	-	-	-
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Critical Volume	-	-	-
Enthalpy of Formation for Ideal Gas at 298.15K	-	-	-
Liquid Molar Volume at 298.15K	-	-	-
Molecular Weight	-	-	-
Net Standard State Enthalpy of Combustion at 298.15K	-	-	-
Normal Boiling Point	-	-	-
Melting Point	-	-	-
Refractive Index	-	-	-
Solubility Parameter at 298.15K	-	-	-
Standard State Absolute Entropy at 298.15K and 1bar	-	-	-
Standard State Enthalpy of Formation at 298.15K and 1bar	-	-	-
Magnetic Susceptibility	-	-	-
Polarizability	-	-	-
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Parachor	-	-	-
Lower Flammability Limit Temperature	-	-	-
Lower Flammability Limit Volume Percent	-	-	-
Upper Flammability Limit Temperature	-	-	-
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Liquid Density at Normal Boiling Point	-	-	-
Heat of Vaporization at 298.15K	-	-	-
Heat of Vaporization at Normal Boiling Point	-	-	-
Water Solubility	-	-	-

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.