- InChI
- InChI=1S/C18H32O4/c1-8-15(13(2)3)22-17(20)10-9-16(19)21-12-14(4)11-18(5,6)7/h9-10,13-15H,8,11-12H2,1-7H3/b10-9+
- InChI Key
- WDSSORKNQLETJT-MDZDMXLPSA-N
- Formula
- C18H32O4
- SMILES
-
CCC(OC(=O)C=CC(=O)OCC(C)CC(C)(
C)C)C(C)C - Molecular Weight1
- 312.44
- 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° | -291.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -811.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.47 | kJ/mol | Joback Calculated Property |
| log10WS | -4.32 | Crippen Calculated Property | |
| logPoct/wat | 4.136 | Crippen Calculated Property | |
| McVol | 275.060 | ml/mol | McGowan Calculated Property |
| Pc | 1313.70 | kPa | Joback Calculated Property |
| Inp | [1903.00; 1903.00] |
|
|
| Inp | 1903.00 | NIST | |
| Inp | 1903.00 | NIST | |
| Tboil | 763.43 | K | Joback Calculated Property |
| Tc | 956.24 | K | Joback Calculated Property |
| Tfus | 389.28 | K | Joback Calculated Property |
| Vc | 1.042 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [828.30; 919.35] | J/mol×K | [763.43; 956.24] |
|
| Cp,gas | 828.30 | J/mol×K | 763.43 | Joback Calculated Property |
| Cp,gas | 845.93 | J/mol×K | 795.57 | Joback Calculated Property |
| Cp,gas | 862.53 | J/mol×K | 827.70 | Joback Calculated Property |
| Cp,gas | 878.13 | J/mol×K | 859.84 | Joback Calculated Property |
| Cp,gas | 892.78 | J/mol×K | 891.97 | Joback Calculated Property |
| Cp,gas | 906.50 | J/mol×K | 924.11 | Joback Calculated Property |
| Cp,gas | 919.35 | J/mol×K | 956.24 | Joback Calculated Property |
| η | [0.0000390; 0.0018664] | Pa×s | [389.28; 763.43] |
|
| η | 0.0018664 | Pa×s | 389.28 | Joback Calculated Property |
| η | 0.0006277 | Pa×s | 451.64 | Joback Calculated Property |
| η | 0.0002750 | Pa×s | 514.00 | Joback Calculated Property |
| η | 0.0001441 | Pa×s | 576.36 | Joback Calculated Property |
| η | 0.0000856 | Pa×s | 638.71 | Joback Calculated Property |
| η | 0.0000558 | Pa×s | 701.07 | Joback Calculated Property |
| η | 0.0000390 | Pa×s | 763.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4,4-trimethylpentyl 2-methylpent-3-yl ester.
Sources
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