- InChI
- InChI=1S/C16H13ClO4/c1-2-20-15(18)11-5-3-6-12(9-11)16(19)21-14-8-4-7-13(17)10-14/h3-10H,2H2,1H3
- InChI Key
- FLARZRNEIVBXLS-UHFFFAOYSA-N
- Formula
- C16H13ClO4
- SMILES
-
CCOC(=O)c1cccc(C(=O)Oc2cccc(Cl
)c2)c1 - Molecular Weight1
- 304.73
- 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° | -190.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -428.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.78 | kJ/mol | Joback Calculated Property |
| log10WS | -4.90 | Crippen Calculated Property | |
| logPoct/wat | 3.736 | Crippen Calculated Property | |
| McVol | 215.900 | ml/mol | McGowan Calculated Property |
| Pc | 2340.56 | kPa | Joback Calculated Property |
| Inp | [2446.00; 2446.00] |
|
|
| Inp | 2446.00 | NIST | |
| Inp | 2446.00 | NIST | |
| Tboil | 818.81 | K | Joback Calculated Property |
| Tc | 1057.73 | K | Joback Calculated Property |
| Tfus | 522.20 | K | Joback Calculated Property |
| Vc | 0.812 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [579.61; 634.47] | J/mol×K | [818.81; 1057.73] |
|
| Cp,gas | 579.61 | J/mol×K | 818.81 | Joback Calculated Property |
| Cp,gas | 591.66 | J/mol×K | 858.63 | Joback Calculated Property |
| Cp,gas | 602.52 | J/mol×K | 898.45 | Joback Calculated Property |
| Cp,gas | 612.21 | J/mol×K | 938.27 | Joback Calculated Property |
| Cp,gas | 620.74 | J/mol×K | 978.09 | Joback Calculated Property |
| Cp,gas | 628.16 | J/mol×K | 1017.91 | Joback Calculated Property |
| Cp,gas | 634.47 | J/mol×K | 1057.73 | Joback Calculated Property |
| η | [0.0000852; 0.0005504] | Pa×s | [522.20; 818.81] |
|
| η | 0.0005504 | Pa×s | 522.20 | Joback Calculated Property |
| η | 0.0003526 | Pa×s | 571.63 | Joback Calculated Property |
| η | 0.0002425 | Pa×s | 621.07 | Joback Calculated Property |
| η | 0.0001762 | Pa×s | 670.50 | Joback Calculated Property |
| η | 0.0001338 | Pa×s | 719.94 | Joback Calculated Property |
| η | 0.0001052 | Pa×s | 769.38 | Joback Calculated Property |
| η | 0.0000852 | Pa×s | 818.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3-chlorophenyl ethyl ester.
Sources
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