- InChI
- InChI=1S/C17H15Cl3O2/c1-2-3-4-11-5-7-12(8-6-11)17(21)22-16-10-14(19)13(18)9-15(16)20/h5-10H,2-4H2,1H3
- InChI Key
- KBTMBSDYUZPJLZ-UHFFFAOYSA-N
- Formula
- C17H15Cl3O2
- SMILES
-
CCCCc1ccc(C(=O)Oc2cc(Cl)c(Cl)c
c2Cl)cc1 - Molecular Weight1
- 357.66
- 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° | 8.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -259.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.95 | kJ/mol | Joback Calculated Property |
| log10WS | -7.25 | Crippen Calculated Property | |
| logPoct/wat | 6.209 | Crippen Calculated Property | |
| McVol | 247.030 | ml/mol | McGowan Calculated Property |
| Pc | 1869.17 | kPa | Joback Calculated Property |
| Inp | 2692.00 | NIST | |
| Tboil | 850.22 | K | Joback Calculated Property |
| Tc | 1089.25 | K | Joback Calculated Property |
| Tfus | 546.19 | K | Joback Calculated Property |
| Vc | 0.943 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [639.88; 696.35] | J/mol×K | [850.22; 1089.25] | 
|
| Cp,gas | 639.88 | J/mol×K | 850.22 | Joback Calculated Property |
| Cp,gas | 651.89 | J/mol×K | 890.06 | Joback Calculated Property |
| Cp,gas | 662.81 | J/mol×K | 929.90 | Joback Calculated Property |
| Cp,gas | 672.68 | J/mol×K | 969.74 | Joback Calculated Property |
| Cp,gas | 681.53 | J/mol×K | 1009.57 | Joback Calculated Property |
| Cp,gas | 689.41 | J/mol×K | 1049.41 | Joback Calculated Property |
| Cp,gas | 696.35 | J/mol×K | 1089.25 | Joback Calculated Property |
| η | [0.0000800; 0.0004551] | Pa×s | [546.19; 850.22] |
|
| η | 0.0004551 | Pa×s | 546.19 | Joback Calculated Property |
| η | 0.0003012 | Pa×s | 596.86 | Joback Calculated Property |
| η | 0.0002126 | Pa×s | 647.53 | Joback Calculated Property |
| η | 0.0001579 | Pa×s | 698.21 | Joback Calculated Property |
| η | 0.0001221 | Pa×s | 748.88 | Joback Calculated Property |
| η | 0.0000975 | Pa×s | 799.55 | Joback Calculated Property |
| η | 0.0000800 | Pa×s | 850.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 2,4,5-trichlorophenyl ester.
Sources
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