- InChI
- InChI=1S/C10H9Cl3O2/c1-5(2)10(14)15-9-4-7(12)6(11)3-8(9)13/h3-5H,1-2H3
- InChI Key
- NTFYSKCXPSVURU-UHFFFAOYSA-N
- Formula
- C10H9Cl3O2
- SMILES
- CC(C)C(=O)Oc1cc(Cl)c(Cl)cc1Cl
- Molecular Weight1
- 267.54
- 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° | -155.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -344.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.04 | kJ/mol | Joback Calculated Property |
| log10WS | -4.44 | Crippen Calculated Property | |
| logPoct/wat | 4.208 | Crippen Calculated Property | |
| McVol | 172.160 | ml/mol | McGowan Calculated Property |
| Pc | 2632.55 | kPa | Joback Calculated Property |
| Inp | [1695.00; 1695.00] |
|
|
| Inp | 1695.00 | NIST | |
| Inp | 1695.00 | NIST | |
| Tboil | 657.96 | K | Joback Calculated Property |
| Tc | 889.71 | K | Joback Calculated Property |
| Tfus | 413.36 | K | Joback Calculated Property |
| Vc | 0.652 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.85; 423.91] | J/mol×K | [657.96; 889.71] |
|
| Cp,gas | 370.85 | J/mol×K | 657.96 | Joback Calculated Property |
| Cp,gas | 381.47 | J/mol×K | 696.58 | Joback Calculated Property |
| Cp,gas | 391.36 | J/mol×K | 735.21 | Joback Calculated Property |
| Cp,gas | 400.55 | J/mol×K | 773.83 | Joback Calculated Property |
| Cp,gas | 409.03 | J/mol×K | 812.46 | Joback Calculated Property |
| Cp,gas | 416.82 | J/mol×K | 851.08 | Joback Calculated Property |
| Cp,gas | 423.91 | J/mol×K | 889.71 | Joback Calculated Property |
| η | [0.0001701; 0.0010764] | Pa×s | [413.36; 657.96] |
|
| η | 0.0010764 | Pa×s | 413.36 | Joback Calculated Property |
| η | 0.0006894 | Pa×s | 454.13 | Joback Calculated Property |
| η | 0.0004751 | Pa×s | 494.89 | Joback Calculated Property |
| η | 0.0003466 | Pa×s | 535.66 | Joback Calculated Property |
| η | 0.0002643 | Pa×s | 576.43 | Joback Calculated Property |
| η | 0.0002089 | Pa×s | 617.19 | Joback Calculated Property |
| η | 0.0001701 | Pa×s | 657.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyric acid, 2,4,5-trichlorophenyl ester.
Sources
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