- InChI
- InChI=1S/C13H13ClO4/c1-3-17-12(15)6-7-13(16)18-11-8-9(2)4-5-10(11)14/h4-8H,3H2,1-2H3/b7-6+
- InChI Key
- DHFVGVUEZZSWGO-VOTSOKGWSA-N
- Formula
- C13H13ClO4
- SMILES
- CCOC(=O)C=CC(=O)Oc1cc(C)ccc1Cl
- Molecular Weight1
- 268.69
- 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° | -247.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -486.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.79 | kJ/mol | Joback Calculated Property |
| log10WS | -3.34 | Crippen Calculated Property | |
| logPoct/wat | 2.673 | Crippen Calculated Property | |
| McVol | 193.090 | ml/mol | McGowan Calculated Property |
| Pc | 2361.07 | kPa | Joback Calculated Property |
| Inp | [1930.00; 1930.00] |
|
|
| Inp | 1930.00 | NIST | |
| Inp | 1930.00 | NIST | |
| Tboil | 727.65 | K | Joback Calculated Property |
| Tc | 948.05 | K | Joback Calculated Property |
| Tfus | 456.89 | K | Joback Calculated Property |
| Vc | 0.733 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [487.67; 548.09] | J/mol×K | [727.65; 948.05] |
|
| Cp,gas | 487.67 | J/mol×K | 727.65 | Joback Calculated Property |
| Cp,gas | 499.83 | J/mol×K | 764.38 | Joback Calculated Property |
| Cp,gas | 511.12 | J/mol×K | 801.12 | Joback Calculated Property |
| Cp,gas | 521.59 | J/mol×K | 837.85 | Joback Calculated Property |
| Cp,gas | 531.23 | J/mol×K | 874.58 | Joback Calculated Property |
| Cp,gas | 540.06 | J/mol×K | 911.32 | Joback Calculated Property |
| Cp,gas | 548.09 | J/mol×K | 948.05 | Joback Calculated Property |
| η | [0.0001055; 0.0007152] | Pa×s | [456.89; 727.65] |
|
| η | 0.0007152 | Pa×s | 456.89 | Joback Calculated Property |
| η | 0.0004505 | Pa×s | 502.02 | Joback Calculated Property |
| η | 0.0003062 | Pa×s | 547.14 | Joback Calculated Property |
| η | 0.0002208 | Pa×s | 592.27 | Joback Calculated Property |
| η | 0.0001667 | Pa×s | 637.40 | Joback Calculated Property |
| η | 0.0001307 | Pa×s | 682.52 | Joback Calculated Property |
| η | 0.0001055 | Pa×s | 727.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-chloro-5-methylphenyl ethyl ester.
Sources
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