- InChI
- InChI=1S/C17H15ClO4/c1-3-21-16(19)12-5-4-6-13(10-12)17(20)22-15-8-7-14(18)9-11(15)2/h4-10H,3H2,1-2H3
- InChI Key
- HQNVRKYWKQHTIP-UHFFFAOYSA-N
- Formula
- C17H15ClO4
- SMILES
-
CCOC(=O)c1cccc(C(=O)Oc2ccc(Cl)
cc2C)c1 - Molecular Weight1
- 318.75
- 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° | -191.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -460.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.67 | kJ/mol | Joback Calculated Property |
| log10WS | -5.38 | Crippen Calculated Property | |
| logPoct/wat | 4.044 | Crippen Calculated Property | |
| McVol | 229.990 | ml/mol | McGowan Calculated Property |
| Pc | 2108.07 | kPa | Joback Calculated Property |
| Inp | [2517.00; 2517.00] |
|
|
| Inp | 2517.00 | NIST | |
| Inp | 2517.00 | NIST | |
| Tboil | 846.67 | K | Joback Calculated Property |
| Tc | 1082.61 | K | Joback Calculated Property |
| Tfus | 545.99 | K | Joback Calculated Property |
| Vc | 0.869 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [632.80; 688.03] | J/mol×K | [846.67; 1082.61] |
|
| Cp,gas | 632.80 | J/mol×K | 846.67 | Joback Calculated Property |
| Cp,gas | 644.99 | J/mol×K | 885.99 | Joback Calculated Property |
| Cp,gas | 655.96 | J/mol×K | 925.32 | Joback Calculated Property |
| Cp,gas | 665.73 | J/mol×K | 964.64 | Joback Calculated Property |
| Cp,gas | 674.32 | J/mol×K | 1003.97 | Joback Calculated Property |
| Cp,gas | 681.75 | J/mol×K | 1043.29 | Joback Calculated Property |
| Cp,gas | 688.03 | J/mol×K | 1082.61 | Joback Calculated Property |
| η | [0.0000758; 0.0004480] | Pa×s | [545.99; 846.67] |
|
| η | 0.0004480 | Pa×s | 545.99 | Joback Calculated Property |
| η | 0.0002942 | Pa×s | 596.10 | Joback Calculated Property |
| η | 0.0002062 | Pa×s | 646.22 | Joback Calculated Property |
| η | 0.0001521 | Pa×s | 696.33 | Joback Calculated Property |
| η | 0.0001169 | Pa×s | 746.44 | Joback Calculated Property |
| η | 0.0000928 | Pa×s | 796.56 | Joback Calculated Property |
| η | 0.0000758 | Pa×s | 846.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-chloro-2-methylphenyl ethyl ester.
Sources
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