- InChI
- InChI=1S/C14H14Cl2O4/c15-12(16)10-20-14(18)7-6-13(17)19-9-8-11-4-2-1-3-5-11/h1-7,12H,8-10H2/b7-6+
- InChI Key
- MQEZQDNODIEQQF-VOTSOKGWSA-N
- Formula
- C14H14Cl2O4
- SMILES
-
O=C(C=CC(=O)OCC(Cl)Cl)OCCc1ccc
cc1 - Molecular Weight1
- 317.17
- 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° | -234.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -504.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.69 | kJ/mol | Joback Calculated Property |
| log10WS | -3.28 | Crippen Calculated Property | |
| logPoct/wat | 2.675 | Crippen Calculated Property | |
| McVol | 219.420 | ml/mol | McGowan Calculated Property |
| Pc | 2157.31 | kPa | Joback Calculated Property |
| Inp | [2189.00; 2189.00] |
|
|
| Inp | 2189.00 | NIST | |
| Inp | 2189.00 | NIST | |
| Tboil | 777.56 | K | Joback Calculated Property |
| Tc | 999.79 | K | Joback Calculated Property |
| Tfus | 458.04 | K | Joback Calculated Property |
| Vc | 0.832 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [566.70; 624.57] | J/mol×K | [777.56; 999.79] |
|
| Cp,gas | 566.70 | J/mol×K | 777.56 | Joback Calculated Property |
| Cp,gas | 578.62 | J/mol×K | 814.60 | Joback Calculated Property |
| Cp,gas | 589.58 | J/mol×K | 851.64 | Joback Calculated Property |
| Cp,gas | 599.62 | J/mol×K | 888.68 | Joback Calculated Property |
| Cp,gas | 608.77 | J/mol×K | 925.72 | Joback Calculated Property |
| Cp,gas | 617.08 | J/mol×K | 962.75 | Joback Calculated Property |
| Cp,gas | 624.57 | J/mol×K | 999.79 | Joback Calculated Property |
| η | [0.0000755; 0.0008947] | Pa×s | [458.04; 777.56] |
|
| η | 0.0008947 | Pa×s | 458.04 | Joback Calculated Property |
| η | 0.0004782 | Pa×s | 511.29 | Joback Calculated Property |
| η | 0.0002876 | Pa×s | 564.55 | Joback Calculated Property |
| η | 0.0001888 | Pa×s | 617.80 | Joback Calculated Property |
| η | 0.0001326 | Pa×s | 671.05 | Joback Calculated Property |
| η | 0.0000980 | Pa×s | 724.31 | Joback Calculated Property |
| η | 0.0000755 | Pa×s | 777.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-phenethyl 2,2-dichloroethyl ester.
Sources
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