- InChI
- InChI=1S/C17H21ClO4/c1-3-4-5-6-11-21-16(19)9-10-17(20)22-15-12-13(2)7-8-14(15)18/h7-10,12H,3-6,11H2,1-2H3/b10-9+
- InChI Key
- FAOAWVAOBJOJEV-MDZDMXLPSA-N
- Formula
- C17H21ClO4
- SMILES
-
CCCCCCOC(=O)C=CC(=O)Oc1cc(C)cc
c1Cl - Molecular Weight1
- 324.80
- 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° | -214.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -568.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.69 | kJ/mol | Joback Calculated Property |
| log10WS | -5.01 | Crippen Calculated Property | |
| logPoct/wat | 4.234 | Crippen Calculated Property | |
| McVol | 249.450 | ml/mol | McGowan Calculated Property |
| Pc | 1676.91 | kPa | Joback Calculated Property |
| Inp | [2350.00; 2350.00] |
|
|
| Inp | 2350.00 | NIST | |
| Inp | 2350.00 | NIST | |
| Tboil | 819.17 | K | Joback Calculated Property |
| Tc | 1029.92 | K | Joback Calculated Property |
| Tfus | 501.97 | K | Joback Calculated Property |
| Vc | 0.957 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [704.17; 772.14] | J/mol×K | [819.17; 1029.92] |
|
| Cp,gas | 704.17 | J/mol×K | 819.17 | Joback Calculated Property |
| Cp,gas | 717.87 | J/mol×K | 854.29 | Joback Calculated Property |
| Cp,gas | 730.59 | J/mol×K | 889.42 | Joback Calculated Property |
| Cp,gas | 742.35 | J/mol×K | 924.54 | Joback Calculated Property |
| Cp,gas | 753.18 | J/mol×K | 959.67 | Joback Calculated Property |
| Cp,gas | 763.10 | J/mol×K | 994.79 | Joback Calculated Property |
| Cp,gas | 772.14 | J/mol×K | 1029.92 | Joback Calculated Property |
| η | [0.0000635; 0.0005205] | Pa×s | [501.97; 819.17] |
|
| η | 0.0005205 | Pa×s | 501.97 | Joback Calculated Property |
| η | 0.0003102 | Pa×s | 554.84 | Joback Calculated Property |
| η | 0.0002023 | Pa×s | 607.70 | Joback Calculated Property |
| η | 0.0001413 | Pa×s | 660.57 | Joback Calculated Property |
| η | 0.0001041 | Pa×s | 713.44 | Joback Calculated Property |
| η | 0.0000799 | Pa×s | 766.30 | Joback Calculated Property |
| η | 0.0000635 | Pa×s | 819.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-chloro-5-methylphenyl hexyl ester.
Sources
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