- InChI
- InChI=1S/C19H19ClO4/c1-12(2)11-23-18(21)14-5-4-6-15(10-14)19(22)24-17-9-13(3)7-8-16(17)20/h4-10,12H,11H2,1-3H3
- InChI Key
- BXDMZRTXAICUAB-UHFFFAOYSA-N
- Formula
- C19H19ClO4
- SMILES
-
Cc1ccc(Cl)c(OC(=O)c2cccc(C(=O)
OCC(C)C)c2)c1 - Molecular Weight1
- 346.81
- 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° | -177.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -507.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.73 | kJ/mol | Joback Calculated Property |
| log10WS | -5.98 | Crippen Calculated Property | |
| logPoct/wat | 4.680 | Crippen Calculated Property | |
| McVol | 258.170 | ml/mol | McGowan Calculated Property |
| Pc | 1792.42 | kPa | Joback Calculated Property |
| Inp | 2598.00 | NIST | |
| Tboil | 891.99 | K | Joback Calculated Property |
| Tc | 1125.54 | K | Joback Calculated Property |
| Tfus | 553.53 | K | Joback Calculated Property |
| Vc | 0.975 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [745.42; 801.95] | J/mol×K | [891.99; 1125.54] | 
|
| Cp,gas | 745.42 | J/mol×K | 891.99 | Joback Calculated Property |
| Cp,gas | 758.05 | J/mol×K | 930.91 | Joback Calculated Property |
| Cp,gas | 769.36 | J/mol×K | 969.84 | Joback Calculated Property |
| Cp,gas | 779.38 | J/mol×K | 1008.76 | Joback Calculated Property |
| Cp,gas | 788.13 | J/mol×K | 1047.69 | Joback Calculated Property |
| Cp,gas | 795.64 | J/mol×K | 1086.61 | Joback Calculated Property |
| Cp,gas | 801.95 | J/mol×K | 1125.54 | Joback Calculated Property |
| η | [0.0000530; 0.0004025] | Pa×s | [553.53; 891.99] |
|
| η | 0.0004025 | Pa×s | 553.53 | Joback Calculated Property |
| η | 0.0002455 | Pa×s | 609.94 | Joback Calculated Property |
| η | 0.0001628 | Pa×s | 666.35 | Joback Calculated Property |
| η | 0.0001152 | Pa×s | 722.76 | Joback Calculated Property |
| η | 0.0000856 | Pa×s | 779.17 | Joback Calculated Property |
| η | 0.0000663 | Pa×s | 835.58 | Joback Calculated Property |
| η | 0.0000530 | Pa×s | 891.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-chloro-5-methylphenyl isobutyl ester.
Sources
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