- InChI
- InChI=1S/C19H19ClO4/c1-3-4-10-23-18(21)14-6-5-7-15(12-14)19(22)24-17-11-13(2)8-9-16(17)20/h5-9,11-12H,3-4,10H2,1-2H3
- InChI Key
- XFJDAEGOVRLVDT-UHFFFAOYSA-N
- Formula
- C19H19ClO4
- SMILES
-
CCCCOC(=O)c1cccc(C(=O)Oc2cc(C)
ccc2Cl)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° | -174.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -502.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.12 | kJ/mol | Joback Calculated Property |
| log10WS | -6.22 | Crippen Calculated Property | |
| logPoct/wat | 4.825 | Crippen Calculated Property | |
| McVol | 258.170 | ml/mol | McGowan Calculated Property |
| Pc | 1780.34 | kPa | Joback Calculated Property |
| Inp | [2649.00; 2649.00] |
|
|
| Inp | 2649.00 | NIST | |
| Inp | 2649.00 | NIST | |
| Tboil | 892.43 | K | Joback Calculated Property |
| Tc | 1122.94 | K | Joback Calculated Property |
| Tfus | 568.53 | K | Joback Calculated Property |
| Vc | 0.981 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [744.88; 801.34] | J/mol×K | [892.43; 1122.94] |
|
| Cp,gas | 744.88 | J/mol×K | 892.43 | Joback Calculated Property |
| Cp,gas | 757.38 | J/mol×K | 930.85 | Joback Calculated Property |
| Cp,gas | 768.61 | J/mol×K | 969.27 | Joback Calculated Property |
| Cp,gas | 778.59 | J/mol×K | 1007.69 | Joback Calculated Property |
| Cp,gas | 787.36 | J/mol×K | 1046.11 | Joback Calculated Property |
| Cp,gas | 794.94 | J/mol×K | 1084.52 | Joback Calculated Property |
| Cp,gas | 801.34 | J/mol×K | 1122.94 | Joback Calculated Property |
| η | [0.0000580; 0.0003739] | Pa×s | [568.53; 892.43] |
|
| η | 0.0003739 | Pa×s | 568.53 | Joback Calculated Property |
| η | 0.0002395 | Pa×s | 622.51 | Joback Calculated Property |
| η | 0.0001647 | Pa×s | 676.50 | Joback Calculated Property |
| η | 0.0001197 | Pa×s | 730.48 | Joback Calculated Property |
| η | 0.0000909 | Pa×s | 784.46 | Joback Calculated Property |
| η | 0.0000716 | Pa×s | 838.45 | Joback Calculated Property |
| η | 0.0000580 | Pa×s | 892.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, butyl 2-chloro-5-methylphenyl ester.
Sources
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