- InChI
- InChI=1S/C12H13Cl3O3/c1-3-7(2)18-12(16)6-17-11-5-9(14)8(13)4-10(11)15/h4-5,7H,3,6H2,1-2H3
- InChI Key
- KOCPUBZALOBLTB-UHFFFAOYSA-N
- Formula
- C12H13Cl3O3
- SMILES
-
CCC(C)OC(=O)COc1cc(Cl)c(Cl)cc1
Cl - Molecular Weight1
- 311.59
- CAS
- 61792-07-2
- 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).
- 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° | -243.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -518.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.90 | kJ/mol | Joback Calculated Property |
| log10WS | -4.71 | Crippen Calculated Property | |
| logPoct/wat | 4.367 | Crippen Calculated Property | |
| McVol | 206.210 | ml/mol | McGowan Calculated Property |
| Pc | 2147.32 | kPa | Joback Calculated Property |
| Tboil | 726.14 | K | Joback Calculated Property |
| Tc | 946.85 | K | Joback Calculated Property |
| Tfus | 458.13 | K | Joback Calculated Property |
| Vc | 0.782 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [494.15; 552.57] | J/mol×K | [726.14; 946.85] | 
|
| Cp,gas | 494.15 | J/mol×K | 726.14 | Joback Calculated Property |
| Cp,gas | 505.96 | J/mol×K | 762.93 | Joback Calculated Property |
| Cp,gas | 516.94 | J/mol×K | 799.71 | Joback Calculated Property |
| Cp,gas | 527.10 | J/mol×K | 836.50 | Joback Calculated Property |
| Cp,gas | 536.43 | J/mol×K | 873.28 | Joback Calculated Property |
| Cp,gas | 544.92 | J/mol×K | 910.07 | Joback Calculated Property |
| Cp,gas | 552.57 | J/mol×K | 946.85 | Joback Calculated Property |
| η | [0.0001035; 0.0006939] | Pa×s | [458.13; 726.14] |
|
| η | 0.0006939 | Pa×s | 458.13 | Joback Calculated Property |
| η | 0.0004389 | Pa×s | 502.80 | Joback Calculated Property |
| η | 0.0002991 | Pa×s | 547.47 | Joback Calculated Property |
| η | 0.0002160 | Pa×s | 592.13 | Joback Calculated Property |
| η | 0.0001633 | Pa×s | 636.80 | Joback Calculated Property |
| η | 0.0001281 | Pa×s | 681.47 | Joback Calculated Property |
| η | 0.0001035 | Pa×s | 726.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (2,4,5-Trichlorophenoxy)acetic acid, sec-butyl ester.
Sources
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