- InChI
- InChI=1S/C15H17ClO4/c1-10(2)11(3)19-14(17)8-9-15(18)20-13-6-4-12(16)5-7-13/h4-11H,1-3H3/b9-8+
- InChI Key
- MNNQONZPGLFYBU-CMDGGOBGSA-N
- Formula
- C15H17ClO4
- SMILES
-
CC(C)C(C)OC(=O)C=CC(=O)Oc1ccc(
Cl)cc1 - Molecular Weight1
- 296.75
- 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° | -226.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -526.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.80 | kJ/mol | Joback Calculated Property |
| log10WS | -3.99 | Crippen Calculated Property | |
| logPoct/wat | 3.389 | Crippen Calculated Property | |
| McVol | 221.270 | ml/mol | McGowan Calculated Property |
| Pc | 2030.89 | kPa | Joback Calculated Property |
| Inp | [2057.00; 2057.00] |
|
|
| Inp | 2057.00 | NIST | |
| Inp | 2057.00 | NIST | |
| Tboil | 767.55 | K | Joback Calculated Property |
| Tc | 988.14 | K | Joback Calculated Property |
| Tfus | 436.91 | K | Joback Calculated Property |
| Vc | 0.833 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [596.13; 662.79] | J/mol×K | [767.55; 988.14] |
|
| Cp,gas | 596.13 | J/mol×K | 767.55 | Joback Calculated Property |
| Cp,gas | 609.70 | J/mol×K | 804.31 | Joback Calculated Property |
| Cp,gas | 622.24 | J/mol×K | 841.08 | Joback Calculated Property |
| Cp,gas | 633.79 | J/mol×K | 877.84 | Joback Calculated Property |
| Cp,gas | 644.38 | J/mol×K | 914.61 | Joback Calculated Property |
| Cp,gas | 654.04 | J/mol×K | 951.37 | Joback Calculated Property |
| Cp,gas | 662.79 | J/mol×K | 988.14 | Joback Calculated Property |
| η | [0.0000695; 0.0009615] | Pa×s | [436.91; 767.55] |
|
| η | 0.0009615 | Pa×s | 436.91 | Joback Calculated Property |
| η | 0.0004856 | Pa×s | 492.02 | Joback Calculated Property |
| η | 0.0002814 | Pa×s | 547.12 | Joback Calculated Property |
| η | 0.0001802 | Pa×s | 602.23 | Joback Calculated Property |
| η | 0.0001244 | Pa×s | 657.34 | Joback Calculated Property |
| η | 0.0000909 | Pa×s | 712.44 | Joback Calculated Property |
| η | 0.0000695 | Pa×s | 767.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-chlorophenyl 3-methylbut-2-yl ester.
Sources
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