- InChI
- InChI=1S/C26H46O4/c1-5-6-7-14-21-29-25(27)18-12-10-8-9-11-13-19-26(28)30-22-20-24(4)17-15-16-23(2)3/h16,20H,5-15,17-19,21-22H2,1-4H3/b24-20+
- InChI Key
- YEDOSFOXPPZYGC-HIXSDJFHSA-N
- Formula
- C26H46O4
- SMILES
-
CCCCCCOC(=O)CCCCCCCCC(=O)OCC=C
(C)CCC=C(C)C - Molecular Weight1
- 422.64
- 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 | 1.0766 | Relay (1.0) Calculated Property | |
| ΔfG° | -156.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1044.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.467 | Crippen Calculated Property | |
| McVol | 383.480 | ml/mol | McGowan Calculated Property |
| Pc | 812.61 | kPa | Joback Calculated Property |
| Inp | [2950.00; 2950.00] |
|
|
| Inp | 2950.00 | NIST | |
| Inp | 2950.00 | NIST | |
| Tboil | 656.64 | K | Relay (1.0) Calculated Property |
| Tc | 828.61 | K | Relay (1.0) Calculated Property |
| Tfus | 267.12 | K | Relay (1.0) Calculated Property |
| Vc | 1.420 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1289.06; 1391.64] | J/mol×K | [954.94; 1170.88] |
|
| Cp,gas | 1289.06 | J/mol×K | 954.94 | Joback Calculated Property |
| Cp,gas | 1309.17 | J/mol×K | 990.93 | Joback Calculated Property |
| Cp,gas | 1327.97 | J/mol×K | 1026.92 | Joback Calculated Property |
| Cp,gas | 1345.55 | J/mol×K | 1062.91 | Joback Calculated Property |
| Cp,gas | 1361.97 | J/mol×K | 1098.90 | Joback Calculated Property |
| Cp,gas | 1377.31 | J/mol×K | 1134.89 | Joback Calculated Property |
| Cp,gas | 1391.64 | J/mol×K | 1170.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, geranyl hexyl ester.
Sources
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