- InChI
- InChI=1S/C21H15ClO4/c22-18-6-3-7-19(13-18)26-21(24)11-10-20(23)25-14-15-8-9-16-4-1-2-5-17(16)12-15/h1-13H,14H2/b11-10+
- InChI Key
- JOJMNJMYFPMZSC-ZHACJKMWSA-N
- Formula
- C21H15ClO4
- SMILES
-
O=C(C=CC(=O)Oc1cccc(Cl)c1)OCc1
ccc2ccccc2c1 - Molecular Weight1
- 366.79
- 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° | 38.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -223.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.51 | kJ/mol | Joback Calculated Property |
| log10WS | -6.36 | Crippen Calculated Property | |
| logPoct/wat | 4.698 | Crippen Calculated Property | |
| McVol | 262.590 | ml/mol | McGowan Calculated Property |
| Pc | 1975.31 | kPa | Joback Calculated Property |
| Inp | [3076.00; 3076.00] |
|
|
| Inp | 3076.00 | NIST | |
| Inp | 3076.00 | NIST | |
| Tboil | 956.35 | K | Joback Calculated Property |
| Tc | 1206.80 | K | Joback Calculated Property |
| Tfus | 606.17 | K | Joback Calculated Property |
| Vc | 0.995 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [749.87; 804.54] | J/mol×K | [956.35; 1206.80] |
|
| Cp,gas | 749.87 | J/mol×K | 956.35 | Joback Calculated Property |
| Cp,gas | 761.06 | J/mol×K | 998.09 | Joback Calculated Property |
| Cp,gas | 771.28 | J/mol×K | 1039.83 | Joback Calculated Property |
| Cp,gas | 780.63 | J/mol×K | 1081.57 | Joback Calculated Property |
| Cp,gas | 789.22 | J/mol×K | 1123.31 | Joback Calculated Property |
| Cp,gas | 797.15 | J/mol×K | 1165.06 | Joback Calculated Property |
| Cp,gas | 804.54 | J/mol×K | 1206.80 | Joback Calculated Property |
| η | [0.0000779; 0.0004328] | Pa×s | [606.17; 956.35] |
|
| η | 0.0004328 | Pa×s | 606.17 | Joback Calculated Property |
| η | 0.0002869 | Pa×s | 664.53 | Joback Calculated Property |
| η | 0.0002032 | Pa×s | 722.90 | Joback Calculated Property |
| η | 0.0001515 | Pa×s | 781.26 | Joback Calculated Property |
| η | 0.0001177 | Pa×s | 839.62 | Joback Calculated Property |
| η | 0.0000945 | Pa×s | 897.99 | Joback Calculated Property |
| η | 0.0000779 | Pa×s | 956.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-chlorophenyl naphth-2-ylmethyl ester.
Sources
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