Predicted properties of the compound entered.
Other Names and Identifiers |
| Standard InChI (User Input) | InChI=1S/C87H138N22O28S2/c1-41(2)27-48(88)72(121)97-50(18-21-65(89)112)73(122)93-36-68(115)95-61(38-110)84(133)104-54(28-42(3)4)77(126)98-52(20-23-67(91)114)75(124)106-59(33-70(117)118)82(131)100-53(24-26-139-11)76(125)102-55(29-43(5)6)78(127)105-58(32-46-35-92-49-16-13-12-15-47(46)49)81(130)99-51(19-22-66(90)113)74(123)101-56(30-44(7)8)79(128)107-60(34-71(119)120)83(132)103-57(31-45(9)10)80(129)108-62(39-111)86(135)109-25-14-17-64(109)85(134)94-37-69(116)96-63(40-138)87(136)137/h12-13,15-16,35,41-45,48,50-64,92,110-111,138H,14,17-34,36-40,88H2,1-11H3,(H2,89,112)(H2,90,113)(H2,91,114)(H,93,122)(H,94,134)(H,95,115)(H,96,116)(H,97,121)(H,98,126)(H,99,130)(H,100,131)(H,101,123)(H,102,125)(H,103,132)(H,104,133)(H,105,127)(H,106,124)(H,107,128)(H,108,129)(H,117,118)(H,119,120)(H,136,137)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1 |
| Standard InChIKey (User Input) | InChIKey=NRYBAZVQPHGZNS-ZSOCWYAHSA-N |
| Non-Standard InChI | |
| Non-Standard InChIKey | |
| Other Names and Identifiers |
| Property | Value | Unit | Accuracy |
| Absolute Entropy of Ideal Gas at 298.15K and 1bar | - | - | - |
| Acentric Factor | - | - | - |
| Critical Compressibility Factor | - | - | - |
| Critical Pressure | - | - | - |
| Critical Temperature | - | - | - |
| 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 | - | - | - |
| Flash Point | - | - | - |
| Parachor | - | - | - |
| Lower Flammability Limit Temperature | - | - | - |
| Lower Flammability Limit Volume Percent | - | - | - |
| Upper Flammability Limit Temperature | - | - | - |
| Upper Flammability Limit Volume Percent | - | - | - |
| Liquid Density at Normal Boiling Point | - | - | - |
| Heat of Vaporization at 298.15K | - | - | - |
| Heat of Vaporization at Normal Boiling Point | - | - | - |
| Water Solubility | - | - | - |