- InChI
- InChI=1S/C23H33NO4/c1-2-3-4-11-18-27-22(25)12-9-7-5-6-8-10-13-23(26)28-21-16-14-20(19-24)15-17-21/h14-17H,2-13,18H2,1H3
- InChI Key
- WVXMOLAKOIAYIE-UHFFFAOYSA-N
- Formula
- C23H33NO4
- SMILES
-
CCCCCCOC(=O)CCCCCCCCC(=O)Oc1cc
c(C#N)cc1 - Molecular Weight1
- 387.51
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -89.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -617.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.52 | kJ/mol | Joback Calculated Property |
| log10WS | -6.86 | Crippen Calculated Property | |
| logPoct/wat | 5.708 | Crippen Calculated Property | |
| McVol | 327.430 | ml/mol | McGowan Calculated Property |
| Pc | 1079.93 | kPa | Joback Calculated Property |
| Inp | [3108.00; 3108.00] |
|
|
| Inp | 3108.00 | NIST | |
| Inp | 3108.00 | NIST | |
| Tboil | 1011.96 | K | Joback Calculated Property |
| Tc | 1238.93 | K | Joback Calculated Property |
| Tfus | 597.22 | K | Joback Calculated Property |
| Vc | 1.290 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1080.44; 1140.97] | J/mol×K | [1011.96; 1238.93] |
|
| Cp,gas | 1080.44 | J/mol×K | 1011.96 | Joback Calculated Property |
| Cp,gas | 1093.93 | J/mol×K | 1049.79 | Joback Calculated Property |
| Cp,gas | 1106.00 | J/mol×K | 1087.62 | Joback Calculated Property |
| Cp,gas | 1116.70 | J/mol×K | 1125.44 | Joback Calculated Property |
| Cp,gas | 1126.07 | J/mol×K | 1163.27 | Joback Calculated Property |
| Cp,gas | 1134.14 | J/mol×K | 1201.10 | Joback Calculated Property |
| Cp,gas | 1140.97 | J/mol×K | 1238.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 4-cyanophenyl hexyl ester.
Sources
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