- InChI
- InChI=1S/C25H46O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-23(26)19-20-24(27)29-22(2)25(3,4)5/h19-20,22H,6-18,21H2,1-5H3/b20-19+
- InChI Key
- ODIHJLXJDLHOBV-FMQUCBEESA-N
- Formula
- C25H46O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C=CC(=O)O
C(C)C(C)(C)C - Molecular Weight1
- 410.63
- 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° | -227.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -945.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.83 | kJ/mol | Joback Calculated Property |
| log10WS | -7.74 | Crippen Calculated Property | |
| logPoct/wat | 7.155 | Crippen Calculated Property | |
| McVol | 373.690 | ml/mol | McGowan Calculated Property |
| Pc | 841.62 | kPa | Joback Calculated Property |
| Inp | [2738.00; 2738.00] |
|
|
| Inp | 2738.00 | NIST | |
| Inp | 2738.00 | NIST | |
| Tboil | 924.47 | K | Joback Calculated Property |
| Tc | 1131.98 | K | Joback Calculated Property |
| Tfus | 498.17 | K | Joback Calculated Property |
| Vc | 1.446 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1254.11; 1354.65] | J/mol×K | [924.47; 1131.98] |
|
| Cp,gas | 1254.11 | J/mol×K | 924.47 | Joback Calculated Property |
| Cp,gas | 1273.85 | J/mol×K | 959.06 | Joback Calculated Property |
| Cp,gas | 1292.30 | J/mol×K | 993.64 | Joback Calculated Property |
| Cp,gas | 1309.54 | J/mol×K | 1028.23 | Joback Calculated Property |
| Cp,gas | 1325.63 | J/mol×K | 1062.81 | Joback Calculated Property |
| Cp,gas | 1340.65 | J/mol×K | 1097.40 | Joback Calculated Property |
| Cp,gas | 1354.65 | J/mol×K | 1131.98 | Joback Calculated Property |
| η | [0.0000155; 0.0004577] | Pa×s | [498.17; 924.47] |
|
| η | 0.0004577 | Pa×s | 498.17 | Joback Calculated Property |
| η | 0.0001832 | Pa×s | 569.22 | Joback Calculated Property |
| η | 0.0000898 | Pa×s | 640.27 | Joback Calculated Property |
| η | 0.0000508 | Pa×s | 711.32 | Joback Calculated Property |
| η | 0.0000318 | Pa×s | 782.37 | Joback Calculated Property |
| η | 0.0000216 | Pa×s | 853.42 | Joback Calculated Property |
| η | 0.0000155 | Pa×s | 924.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,3-dimethylbut-2-yl pentadecyl ester.
Sources
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