- InChI
- InChI=1S/C19H32O4/c1-3-5-12-17(9-4-2)23-19(21)14-13-18(20)22-15-16-10-7-6-8-11-16/h13-14,16-17H,3-12,15H2,1-2H3/b14-13+
- InChI Key
- NPENSVNRKVAMOR-BUHFOSPRSA-N
- Formula
- C19H32O4
- SMILES
-
CCCCC(CCC)OC(=O)C=CC(=O)OCC1CC
CCC1 - 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° | -256.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -758.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.20 | kJ/mol | Joback Calculated Property |
| log10WS | -5.12 | Crippen Calculated Property | |
| logPoct/wat | 4.568 | Crippen Calculated Property | |
| McVol | 278.290 | ml/mol | McGowan Calculated Property |
| Pc | 1387.11 | kPa | Joback Calculated Property |
| Inp | [2241.00; 2241.00] |
|
|
| Inp | 2241.00 | NIST | |
| Inp | 2241.00 | NIST | |
| Tboil | 809.97 | K | Joback Calculated Property |
| Tc | 1011.57 | K | Joback Calculated Property |
| Tfus | 435.51 | K | Joback Calculated Property |
| Vc | 1.054 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [880.96; 973.83] | J/mol×K | [809.97; 1011.57] |
|
| Cp,gas | 880.96 | J/mol×K | 809.97 | Joback Calculated Property |
| Cp,gas | 899.46 | J/mol×K | 843.57 | Joback Calculated Property |
| Cp,gas | 916.71 | J/mol×K | 877.17 | Joback Calculated Property |
| Cp,gas | 932.74 | J/mol×K | 910.77 | Joback Calculated Property |
| Cp,gas | 947.58 | J/mol×K | 944.37 | Joback Calculated Property |
| Cp,gas | 961.26 | J/mol×K | 977.97 | Joback Calculated Property |
| Cp,gas | 973.83 | J/mol×K | 1011.57 | Joback Calculated Property |
| η | [0.0000508; 0.0011943] | Pa×s | [435.51; 809.97] |
|
| η | 0.0011943 | Pa×s | 435.51 | Joback Calculated Property |
| η | 0.0005074 | Pa×s | 497.92 | Joback Calculated Property |
| η | 0.0002608 | Pa×s | 560.33 | Joback Calculated Property |
| η | 0.0001532 | Pa×s | 622.74 | Joback Calculated Property |
| η | 0.0000992 | Pa×s | 685.15 | Joback Calculated Property |
| η | 0.0000690 | Pa×s | 747.56 | Joback Calculated Property |
| η | 0.0000508 | Pa×s | 809.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-octyl cyclohexylmethyl ester.
Sources
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