- InChI
- InChI=1S/C29H54O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-32-28(30)23-24-29(31)33-26-27(3)22-5-2/h23-24,27H,4-22,25-26H2,1-3H3/b24-23+
- InChI Key
- TUBQHLFRMQZWHV-WCWDXBQESA-N
- Formula
- C29H54O4
- SMILES
-
CCCCCCCCCCCCCCCCCCCOC(=O)C=CC(
=O)OCC(C)CCC - 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° | -196.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1019.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 73.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.03 | kJ/mol | Joback Calculated Property |
| log10WS | -9.30 | Crippen Calculated Property | |
| logPoct/wat | 8.717 | Crippen Calculated Property | |
| McVol | 430.050 | ml/mol | McGowan Calculated Property |
| Pc | 674.65 | kPa | Joback Calculated Property |
| Inp | [3175.00; 3175.00] |
|
|
| Inp | 3175.00 | NIST | |
| Inp | 3175.00 | NIST | |
| Tboil | 1019.22 | K | Joback Calculated Property |
| Tc | 1266.06 | K | Joback Calculated Property |
| Tfus | 540.83 | K | Joback Calculated Property |
| Vc | 1.681 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1511.74; 1620.54] | J/mol×K | [1019.22; 1266.06] |
|
| Cp,gas | 1511.74 | J/mol×K | 1019.22 | Joback Calculated Property |
| Cp,gas | 1534.40 | J/mol×K | 1060.36 | Joback Calculated Property |
| Cp,gas | 1555.11 | J/mol×K | 1101.50 | Joback Calculated Property |
| Cp,gas | 1573.97 | J/mol×K | 1142.64 | Joback Calculated Property |
| Cp,gas | 1591.09 | J/mol×K | 1183.78 | Joback Calculated Property |
| Cp,gas | 1606.58 | J/mol×K | 1224.92 | Joback Calculated Property |
| Cp,gas | 1620.54 | J/mol×K | 1266.06 | Joback Calculated Property |
| η | [0.0000107; 0.0002886] | Pa×s | [540.83; 1019.22] |
|
| η | 0.0002886 | Pa×s | 540.83 | Joback Calculated Property |
| η | 0.0001173 | Pa×s | 620.56 | Joback Calculated Property |
| η | 0.0000585 | Pa×s | 700.29 | Joback Calculated Property |
| η | 0.0000336 | Pa×s | 780.02 | Joback Calculated Property |
| η | 0.0000214 | Pa×s | 859.76 | Joback Calculated Property |
| η | 0.0000147 | Pa×s | 939.49 | Joback Calculated Property |
| η | 0.0000107 | Pa×s | 1019.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-methylpentyl nonadecyl ester.
Sources
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