- InChI
- InChI=1S/C29H54O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-32-27(30)22-23-28(31)33-29(25(2)3)26(4)5/h22-23,25-26,29H,6-21,24H2,1-5H3/b23-22+
- InChI Key
- DVTMOXKNWRFYKI-GHVJWSGMSA-N
- Formula
- C29H54O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C=CC(=
O)OC(C(C)C)C(C)C - Molecular Weight1
- 466.74
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -201.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1030.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.25 | kJ/mol | Joback Calculated Property |
| log10WS | -9.17 | Crippen Calculated Property | |
| logPoct/wat | 8.571 | Crippen Calculated Property | |
| McVol | 430.050 | ml/mol | McGowan Calculated Property |
| Pc | 680.29 | kPa | Joback Calculated Property |
| Inp | [3128.00; 3128.00] |
|
|
| Inp | 3128.00 | NIST | |
| Inp | 3128.00 | NIST | |
| Tboil | 1018.34 | K | Joback Calculated Property |
| Tc | 1260.34 | K | Joback Calculated Property |
| Tfus | 510.83 | K | Joback Calculated Property |
| Vc | 1.669 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1512.24; 1618.08] | J/mol×K | [1018.34; 1260.34] |
|
| Cp,gas | 1512.24 | J/mol×K | 1018.34 | Joback Calculated Property |
| Cp,gas | 1534.32 | J/mol×K | 1058.67 | Joback Calculated Property |
| Cp,gas | 1554.50 | J/mol×K | 1099.01 | Joback Calculated Property |
| Cp,gas | 1572.86 | J/mol×K | 1139.34 | Joback Calculated Property |
| Cp,gas | 1589.51 | J/mol×K | 1179.67 | Joback Calculated Property |
| Cp,gas | 1604.55 | J/mol×K | 1220.01 | Joback Calculated Property |
| Cp,gas | 1618.08 | J/mol×K | 1260.34 | Joback Calculated Property |
| η | [0.0000089; 0.0003864] | Pa×s | [510.83; 1018.34] |
|
| η | 0.0003864 | Pa×s | 510.83 | Joback Calculated Property |
| η | 0.0001318 | Pa×s | 595.42 | Joback Calculated Property |
| η | 0.0000588 | Pa×s | 680.00 | Joback Calculated Property |
| η | 0.0000313 | Pa×s | 764.59 | Joback Calculated Property |
| η | 0.0000189 | Pa×s | 849.17 | Joback Calculated Property |
| η | 0.0000125 | Pa×s | 933.75 | Joback Calculated Property |
| η | 0.0000089 | Pa×s | 1018.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4-dimethylpent-3-yl octadecyl ester.
Sources
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