- InChI
- InChI=1S/C17H14Cl4O2/c1-2-3-4-10-5-7-11(8-6-10)17(22)23-16-13(19)9-12(18)14(20)15(16)21/h5-9H,2-4H2,1H3
- InChI Key
- VJFPTLHFDFYZGH-UHFFFAOYSA-N
- Formula
- C17H14Cl4O2
- SMILES
-
CCCCc1ccc(C(=O)Oc2c(Cl)cc(Cl)c
(Cl)c2Cl)cc1 - Molecular Weight1
- 392.10
- 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° | -12.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.99 | kJ/mol | Joback Calculated Property |
| log10WS | -7.94 | Crippen Calculated Property | |
| logPoct/wat | 6.862 | Crippen Calculated Property | |
| McVol | 259.270 | ml/mol | McGowan Calculated Property |
| Pc | 1787.88 | kPa | Joback Calculated Property |
| Inp | [2809.00; 2809.00] |
|
|
| Inp | 2809.00 | NIST | |
| Inp | 2809.00 | NIST | |
| Tboil | 892.63 | K | Joback Calculated Property |
| Tc | 1134.80 | K | Joback Calculated Property |
| Tfus | 588.63 | K | Joback Calculated Property |
| Vc | 0.992 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [658.63; 707.41] | J/mol×K | [892.63; 1134.80] |
|
| Cp,gas | 658.63 | J/mol×K | 892.63 | Joback Calculated Property |
| Cp,gas | 669.32 | J/mol×K | 932.99 | Joback Calculated Property |
| Cp,gas | 678.94 | J/mol×K | 973.35 | Joback Calculated Property |
| Cp,gas | 687.53 | J/mol×K | 1013.71 | Joback Calculated Property |
| Cp,gas | 695.11 | J/mol×K | 1054.07 | Joback Calculated Property |
| Cp,gas | 701.73 | J/mol×K | 1094.43 | Joback Calculated Property |
| Cp,gas | 707.41 | J/mol×K | 1134.80 | Joback Calculated Property |
| η | [0.0000708; 0.0003528] | Pa×s | [588.63; 892.63] |
|
| η | 0.0003528 | Pa×s | 588.63 | Joback Calculated Property |
| η | 0.0002428 | Pa×s | 639.30 | Joback Calculated Property |
| η | 0.0001765 | Pa×s | 689.96 | Joback Calculated Property |
| η | 0.0001340 | Pa×s | 740.63 | Joback Calculated Property |
| η | 0.0001055 | Pa×s | 791.30 | Joback Calculated Property |
| η | 0.0000854 | Pa×s | 841.96 | Joback Calculated Property |
| η | 0.0000708 | Pa×s | 892.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 2,3,4,6-tetrachlorophenyl ester.
Sources
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