- InChI
- InChI=1S/C26H46O4/c1-22(2)14-12-16-24(5)19-21-30-26(28)18-11-9-7-6-8-10-17-25(27)29-20-13-15-23(3)4/h14,19,23H,6-13,15-18,20-21H2,1-5H3/b24-19+
- InChI Key
- SJAHAIHZFVSTDM-LYBHJNIJSA-N
- Formula
- C26H46O4
- SMILES
-
CC(C)=CCCC(C)=CCOC(=O)CCCCCCCC
C(=O)OCCCC(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 | 1.0470 | Relay (1.0) Calculated Property | |
| ΔfG° | -158.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1064.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.322 | Crippen Calculated Property | |
| McVol | 383.480 | ml/mol | McGowan Calculated Property |
| Pc | 816.33 | kPa | Joback Calculated Property |
| Inp | 2908.00 | NIST | |
| Tboil | 654.27 | K | Relay (1.0) Calculated Property |
| Tc | 827.22 | K | Relay (1.0) Calculated Property |
| Tfus | 265.59 | K | Relay (1.0) Calculated Property |
| Vc | 1.406 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1289.42; 1391.25] | J/mol×K | [954.50; 1169.68] | 
|
| Cp,gas | 1289.42 | J/mol×K | 954.50 | Joback Calculated Property |
| Cp,gas | 1309.42 | J/mol×K | 990.36 | Joback Calculated Property |
| Cp,gas | 1328.11 | J/mol×K | 1026.23 | Joback Calculated Property |
| Cp,gas | 1345.56 | J/mol×K | 1062.09 | Joback Calculated Property |
| Cp,gas | 1361.85 | J/mol×K | 1097.96 | Joback Calculated Property |
| Cp,gas | 1377.05 | J/mol×K | 1133.82 | Joback Calculated Property |
| Cp,gas | 1391.25 | J/mol×K | 1169.68 | Joback Calculated Property |
Similar Compounds
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Sources
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