- InChI
- InChI=1S/C13H15Cl3O2/c1-2-3-4-10-5-7-11(8-6-10)12(17)18-9-13(14,15)16/h5-8H,2-4,9H2,1H3
- InChI Key
- NPEJHXJLBOHWPV-UHFFFAOYSA-N
- Formula
- C13H15Cl3O2
- SMILES
-
CCCCc1ccc(C(=O)OCC(Cl)(Cl)Cl)c
c1 - Molecular Weight1
- 309.62
- 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° | -105.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -387.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.48 | kJ/mol | Joback Calculated Property |
| log10WS | -5.33 | Crippen Calculated Property | |
| logPoct/wat | 4.556 | Crippen Calculated Property | |
| McVol | 214.430 | ml/mol | McGowan Calculated Property |
| Pc | 2073.65 | kPa | Joback Calculated Property |
| Inp | [2056.00; 2056.00] |
|
|
| Inp | 2056.00 | NIST | |
| Inp | 2056.00 | NIST | |
| Tboil | 713.85 | K | Joback Calculated Property |
| Tc | 939.31 | K | Joback Calculated Property |
| Tfus | 439.55 | K | Joback Calculated Property |
| Vc | 0.816 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [525.87; 589.82] | J/mol×K | [713.85; 939.31] |
|
| Cp,gas | 525.87 | J/mol×K | 713.85 | Joback Calculated Property |
| Cp,gas | 538.79 | J/mol×K | 751.43 | Joback Calculated Property |
| Cp,gas | 550.72 | J/mol×K | 789.00 | Joback Calculated Property |
| Cp,gas | 561.74 | J/mol×K | 826.58 | Joback Calculated Property |
| Cp,gas | 571.89 | J/mol×K | 864.16 | Joback Calculated Property |
| Cp,gas | 581.23 | J/mol×K | 901.73 | Joback Calculated Property |
| Cp,gas | 589.82 | J/mol×K | 939.31 | Joback Calculated Property |
| η | [0.0001074; 0.0010790] | Pa×s | [439.55; 713.85] |
|
| η | 0.0010790 | Pa×s | 439.55 | Joback Calculated Property |
| η | 0.0006128 | Pa×s | 485.27 | Joback Calculated Property |
| η | 0.0003837 | Pa×s | 530.98 | Joback Calculated Property |
| η | 0.0002587 | Pa×s | 576.70 | Joback Calculated Property |
| η | 0.0001848 | Pa×s | 622.42 | Joback Calculated Property |
| η | 0.0001383 | Pa×s | 668.13 | Joback Calculated Property |
| η | 0.0001074 | Pa×s | 713.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 2,2,2-trichloroethyl ester.
Sources
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