- InChI
- InChI=1S/C18H17ClO4/c1-3-9-22-17(20)13-5-4-6-14(11-13)18(21)23-16-10-12(2)7-8-15(16)19/h4-8,10-11H,3,9H2,1-2H3
- InChI Key
- BKUDKOHFBCNLCN-UHFFFAOYSA-N
- Formula
- C18H17ClO4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)Oc2cc(C)c
cc2Cl)c1 - Molecular Weight1
- 332.78
- 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° | -183.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -481.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.90 | kJ/mol | Joback Calculated Property |
| log10WS | -5.80 | Crippen Calculated Property | |
| logPoct/wat | 4.434 | Crippen Calculated Property | |
| McVol | 244.080 | ml/mol | McGowan Calculated Property |
| Pc | 1933.83 | kPa | Joback Calculated Property |
| Inp | 2552.00 | NIST | |
| Tboil | 869.55 | K | Joback Calculated Property |
| Tc | 1102.44 | K | Joback Calculated Property |
| Tfus | 557.26 | K | Joback Calculated Property |
| Vc | 0.924 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [688.43; 744.41] | J/mol×K | [869.55; 1102.44] | 
|
| Cp,gas | 688.43 | J/mol×K | 869.55 | Joback Calculated Property |
| Cp,gas | 700.80 | J/mol×K | 908.37 | Joback Calculated Property |
| Cp,gas | 711.92 | J/mol×K | 947.18 | Joback Calculated Property |
| Cp,gas | 721.82 | J/mol×K | 986.00 | Joback Calculated Property |
| Cp,gas | 730.53 | J/mol×K | 1024.81 | Joback Calculated Property |
| Cp,gas | 738.05 | J/mol×K | 1063.63 | Joback Calculated Property |
| Cp,gas | 744.41 | J/mol×K | 1102.44 | Joback Calculated Property |
| η | [0.0000664; 0.0004102] | Pa×s | [557.26; 869.55] |
|
| η | 0.0004102 | Pa×s | 557.26 | Joback Calculated Property |
| η | 0.0002660 | Pa×s | 609.31 | Joback Calculated Property |
| η | 0.0001846 | Pa×s | 661.36 | Joback Calculated Property |
| η | 0.0001352 | Pa×s | 713.40 | Joback Calculated Property |
| η | 0.0001033 | Pa×s | 765.45 | Joback Calculated Property |
| η | 0.0000816 | Pa×s | 817.50 | Joback Calculated Property |
| η | 0.0000664 | Pa×s | 869.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-chloro-5-methylphenyl propyl ester.
Sources
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