- InChI
- InChI=1S/C14H15ClO4/c1-3-8-18-13(16)6-7-14(17)19-12-9-10(2)4-5-11(12)15/h4-7,9H,3,8H2,1-2H3/b7-6+
- InChI Key
- QOJOFIGGVFJBIJ-VOTSOKGWSA-N
- Formula
- C14H15ClO4
- SMILES
-
CCCOC(=O)C=CC(=O)Oc1cc(C)ccc1C
l - Molecular Weight1
- 282.72
- 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° | -239.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -506.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.01 | kJ/mol | Joback Calculated Property |
| log10WS | -3.76 | Crippen Calculated Property | |
| logPoct/wat | 3.063 | Crippen Calculated Property | |
| McVol | 207.180 | ml/mol | McGowan Calculated Property |
| Pc | 2155.30 | kPa | Joback Calculated Property |
| Inp | [2030.00; 2030.00] |
|
|
| Inp | 2030.00 | NIST | |
| Inp | 2030.00 | NIST | |
| Tboil | 750.53 | K | Joback Calculated Property |
| Tc | 967.73 | K | Joback Calculated Property |
| Tfus | 468.16 | K | Joback Calculated Property |
| Vc | 0.788 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [540.12; 602.94] | J/mol×K | [750.53; 967.73] |
|
| Cp,gas | 540.12 | J/mol×K | 750.53 | Joback Calculated Property |
| Cp,gas | 552.75 | J/mol×K | 786.73 | Joback Calculated Property |
| Cp,gas | 564.50 | J/mol×K | 822.93 | Joback Calculated Property |
| Cp,gas | 575.37 | J/mol×K | 859.13 | Joback Calculated Property |
| Cp,gas | 585.39 | J/mol×K | 895.33 | Joback Calculated Property |
| Cp,gas | 594.58 | J/mol×K | 931.53 | Joback Calculated Property |
| Cp,gas | 602.94 | J/mol×K | 967.73 | Joback Calculated Property |
| η | [0.0000935; 0.0006663] | Pa×s | [468.16; 750.53] |
|
| η | 0.0006663 | Pa×s | 468.16 | Joback Calculated Property |
| η | 0.0004136 | Pa×s | 515.22 | Joback Calculated Property |
| η | 0.0002781 | Pa×s | 562.28 | Joback Calculated Property |
| η | 0.0001988 | Pa×s | 609.35 | Joback Calculated Property |
| η | 0.0001491 | Pa×s | 656.41 | Joback Calculated Property |
| η | 0.0001163 | Pa×s | 703.47 | Joback Calculated Property |
| η | 0.0000935 | Pa×s | 750.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-chloro-5-methylphenyl propyl ester.
Sources
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