- InChI
- InChI=1S/C30H54O4/c1-5-6-7-8-9-12-15-18-25-33-29(31)22-16-13-10-11-14-17-23-30(32)34-26-24-28(4)21-19-20-27(2)3/h20,24H,5-19,21-23,25-26H2,1-4H3/b28-24+
- InChI Key
- BPRBASGIFRBDPM-ZZIIXHQDSA-N
- Formula
- C30H54O4
- SMILES
-
CCCCCCCCCCOC(=O)CCCCCCCCC(=O)O
CC=C(C)CCC=C(C)C - Molecular Weight1
- 478.75
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.2181 | Relay (1.0) Calculated Property | |
| ΔfG° | -122.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1126.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 76.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.027 | Crippen Calculated Property | |
| McVol | 439.840 | ml/mol | McGowan Calculated Property |
| Pc | 660.17 | kPa | Joback Calculated Property |
| Inp | [3355.00; 3355.00] |
|
|
| Inp | 3355.00 | NIST | |
| Inp | 3355.00 | NIST | |
| Tboil | 683.40 | K | Relay (1.0) Calculated Property |
| Tc | 855.82 | K | Relay (1.0) Calculated Property |
| Tfus | 281.85 | K | Relay (1.0) Calculated Property |
| Vc | 1.639 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1547.94; 1663.40] | J/mol×K | [1046.46; 1300.67] |
|
| Cp,gas | 1547.94 | J/mol×K | 1046.46 | Joback Calculated Property |
| Cp,gas | 1571.07 | J/mol×K | 1088.83 | Joback Calculated Property |
| Cp,gas | 1592.46 | J/mol×K | 1131.20 | Joback Calculated Property |
| Cp,gas | 1612.24 | J/mol×K | 1173.57 | Joback Calculated Property |
| Cp,gas | 1630.56 | J/mol×K | 1215.94 | Joback Calculated Property |
| Cp,gas | 1647.57 | J/mol×K | 1258.31 | Joback Calculated Property |
| Cp,gas | 1663.40 | J/mol×K | 1300.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, decyl geranyl ester.
Sources
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