- InChI
- InChI=1S/C17H16Cl2O2/c1-2-3-4-12-5-7-13(8-6-12)17(20)21-14-9-10-15(18)16(19)11-14/h5-11H,2-4H2,1H3
- InChI Key
- CJIWMGIVONTUCE-UHFFFAOYSA-N
- Formula
- C17H16Cl2O2
- SMILES
-
CCCCc1ccc(C(=O)Oc2ccc(Cl)c(Cl)
c2)cc1 - Molecular Weight1
- 323.21
- 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° | 30.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -231.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.90 | kJ/mol | Joback Calculated Property |
| log10WS | -6.57 | Crippen Calculated Property | |
| logPoct/wat | 5.555 | Crippen Calculated Property | |
| McVol | 234.790 | ml/mol | McGowan Calculated Property |
| Pc | 1956.14 | kPa | Joback Calculated Property |
| Inp | [2473.00; 2473.00] |
|
|
| Inp | 2473.00 | NIST | |
| Inp | 2473.00 | NIST | |
| Tboil | 807.81 | K | Joback Calculated Property |
| Tc | 1043.74 | K | Joback Calculated Property |
| Tfus | 503.75 | K | Joback Calculated Property |
| Vc | 0.893 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [619.17; 683.43] | J/mol×K | [807.81; 1043.74] |
|
| Cp,gas | 619.17 | J/mol×K | 807.81 | Joback Calculated Property |
| Cp,gas | 632.55 | J/mol×K | 847.13 | Joback Calculated Property |
| Cp,gas | 644.80 | J/mol×K | 886.45 | Joback Calculated Property |
| Cp,gas | 655.97 | J/mol×K | 925.77 | Joback Calculated Property |
| Cp,gas | 666.10 | J/mol×K | 965.10 | Joback Calculated Property |
| Cp,gas | 675.24 | J/mol×K | 1004.42 | Joback Calculated Property |
| Cp,gas | 683.43 | J/mol×K | 1043.74 | Joback Calculated Property |
| η | [0.0000897; 0.0005961] | Pa×s | [503.75; 807.81] |
|
| η | 0.0005961 | Pa×s | 503.75 | Joback Calculated Property |
| η | 0.0003763 | Pa×s | 554.43 | Joback Calculated Property |
| η | 0.0002566 | Pa×s | 605.10 | Joback Calculated Property |
| η | 0.0001856 | Pa×s | 655.78 | Joback Calculated Property |
| η | 0.0001407 | Pa×s | 706.46 | Joback Calculated Property |
| η | 0.0001106 | Pa×s | 757.13 | Joback Calculated Property |
| η | 0.0000897 | Pa×s | 807.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 3,4-dichlorophenyl ester.
Sources
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