- InChI
- InChI=1S/C19H32O4/c1-15(12-19(2,3)4)13-22-17(20)10-11-18(21)23-14-16-8-6-5-7-9-16/h10-11,15-16H,5-9,12-14H2,1-4H3/b11-10+
- InChI Key
- SSHKZDXEEYOEHQ-ZHACJKMWSA-N
- Formula
- C19H32O4
- SMILES
-
CC(COC(=O)C=CC(=O)OCC1CCCCC1)C
C(C)(C)C - Molecular Weight1
- 324.45
- 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° | -253.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -767.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.90 | kJ/mol | Joback Calculated Property |
| log10WS | -4.52 | Crippen Calculated Property | |
| logPoct/wat | 4.282 | Crippen Calculated Property | |
| McVol | 278.290 | ml/mol | McGowan Calculated Property |
| Pc | 1406.95 | kPa | Joback Calculated Property |
| Inp | [2220.00; 2220.00] |
|
|
| Inp | 2220.00 | NIST | |
| Inp | 2220.00 | NIST | |
| Tboil | 806.74 | K | Joback Calculated Property |
| Tc | 1015.16 | K | Joback Calculated Property |
| Tfus | 437.93 | K | Joback Calculated Property |
| Vc | 1.044 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [882.10; 976.55] | J/mol×K | [806.74; 1015.16] |
|
| Cp,gas | 882.10 | J/mol×K | 806.74 | Joback Calculated Property |
| Cp,gas | 900.96 | J/mol×K | 841.48 | Joback Calculated Property |
| Cp,gas | 918.49 | J/mol×K | 876.21 | Joback Calculated Property |
| Cp,gas | 934.77 | J/mol×K | 910.95 | Joback Calculated Property |
| Cp,gas | 949.83 | J/mol×K | 945.68 | Joback Calculated Property |
| Cp,gas | 963.74 | J/mol×K | 980.42 | Joback Calculated Property |
| Cp,gas | 976.55 | J/mol×K | 1015.16 | Joback Calculated Property |
| η | [0.0000407; 0.0011677] | Pa×s | [437.93; 806.74] |
|
| η | 0.0011677 | Pa×s | 437.93 | Joback Calculated Property |
| η | 0.0004731 | Pa×s | 499.40 | Joback Calculated Property |
| η | 0.0002336 | Pa×s | 560.87 | Joback Calculated Property |
| η | 0.0001326 | Pa×s | 622.34 | Joback Calculated Property |
| η | 0.0000834 | Pa×s | 683.80 | Joback Calculated Property |
| η | 0.0000566 | Pa×s | 745.27 | Joback Calculated Property |
| η | 0.0000407 | Pa×s | 806.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4,4-trimethylpentyl cyclohexylmethyl ester.
Sources
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