- InChI
- InChI=1S/C23H40O4/c1-5-18-26-22(24)15-10-8-6-7-9-11-16-23(25)27-19-17-21(4)14-12-13-20(2)3/h13,17H,5-12,14-16,18-19H2,1-4H3/b21-17+
- InChI Key
- NHDOBNIBFGIIHE-HEHNFIMWSA-N
- Formula
- C23H40O4
- SMILES
-
CCCOC(=O)CCCCCCCCC(=O)OCC=C(C)
CCC=C(C)C - Molecular Weight1
- 380.56
- 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 | 0.9699 | Relay (1.0) Calculated Property | |
| ΔfG° | -181.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -984.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.296 | Crippen Calculated Property | |
| McVol | 341.210 | ml/mol | McGowan Calculated Property |
| Pc | 964.47 | kPa | Joback Calculated Property |
| Inp | [2651.00; 2651.00] |
|
|
| Inp | 2651.00 | NIST | |
| Inp | 2651.00 | NIST | |
| Tboil | 636.09 | K | Relay (1.0) Calculated Property |
| Tc | 802.90 | K | Relay (1.0) Calculated Property |
| Tfus | 262.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.257 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1100.28; 1196.06] | J/mol×K | [886.30; 1085.70] |
|
| Cp,gas | 1100.28 | J/mol×K | 886.30 | Joback Calculated Property |
| Cp,gas | 1118.82 | J/mol×K | 919.53 | Joback Calculated Property |
| Cp,gas | 1136.26 | J/mol×K | 952.77 | Joback Calculated Property |
| Cp,gas | 1152.65 | J/mol×K | 986.00 | Joback Calculated Property |
| Cp,gas | 1168.05 | J/mol×K | 1019.23 | Joback Calculated Property |
| Cp,gas | 1182.50 | J/mol×K | 1052.47 | Joback Calculated Property |
| Cp,gas | 1196.06 | J/mol×K | 1085.70 | Joback Calculated Property |
Similar Compounds
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Sources
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