- InChI
- InChI=1S/C18H32O4/c1-6-7-8-9-10-11-14-21-16(19)12-13-17(20)22-15(2)18(3,4)5/h12-13,15H,6-11,14H2,1-5H3/b13-12+
- InChI Key
- BFTNQRFSACXZQV-OUKQBFOZSA-N
- Formula
- C18H32O4
- SMILES
-
CCCCCCCCOC(=O)C=CC(=O)OC(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° | -286.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -801.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.25 | kJ/mol | Joback Calculated Property |
| log10WS | -4.81 | Crippen Calculated Property | |
| logPoct/wat | 4.424 | Crippen Calculated Property | |
| McVol | 275.060 | ml/mol | McGowan Calculated Property |
| Pc | 1298.60 | kPa | Joback Calculated Property |
| Inp | [2041.00; 2041.00] |
|
|
| Inp | 2041.00 | NIST | |
| Inp | 2041.00 | NIST | |
| Tboil | 764.31 | K | Joback Calculated Property |
| Tc | 952.87 | K | Joback Calculated Property |
| Tfus | 419.28 | K | Joback Calculated Property |
| Vc | 1.054 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [827.30; 916.80] | J/mol×K | [764.31; 952.87] |
|
| Cp,gas | 827.30 | J/mol×K | 764.31 | Joback Calculated Property |
| Cp,gas | 844.52 | J/mol×K | 795.74 | Joback Calculated Property |
| Cp,gas | 860.78 | J/mol×K | 827.16 | Joback Calculated Property |
| Cp,gas | 876.09 | J/mol×K | 858.59 | Joback Calculated Property |
| Cp,gas | 890.51 | J/mol×K | 890.01 | Joback Calculated Property |
| Cp,gas | 904.07 | J/mol×K | 921.44 | Joback Calculated Property |
| Cp,gas | 916.80 | J/mol×K | 952.87 | Joback Calculated Property |
| η | [0.0000460; 0.0011583] | Pa×s | [419.28; 764.31] |
|
| η | 0.0011583 | Pa×s | 419.28 | Joback Calculated Property |
| η | 0.0004892 | Pa×s | 476.79 | Joback Calculated Property |
| η | 0.0002487 | Pa×s | 534.29 | Joback Calculated Property |
| η | 0.0001442 | Pa×s | 591.79 | Joback Calculated Property |
| η | 0.0000921 | Pa×s | 649.30 | Joback Calculated Property |
| η | 0.0000633 | Pa×s | 706.80 | Joback Calculated Property |
| η | 0.0000460 | Pa×s | 764.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,3-dimethylbut-2-yl octyl ester.
Sources
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