- InChI
- InChI=1S/C17H17ClO2/c1-2-3-4-13-5-7-14(8-6-13)17(19)20-16-11-9-15(18)10-12-16/h5-12H,2-4H2,1H3
- InChI Key
- KFSDSHJKHABQJV-UHFFFAOYSA-N
- Formula
- C17H17ClO2
- SMILES
-
CCCCc1ccc(C(=O)Oc2ccc(Cl)cc2)c
c1 - Molecular Weight1
- 288.77
- 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° | 51.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -204.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.85 | kJ/mol | Joback Calculated Property |
| log10WS | -5.88 | Crippen Calculated Property | |
| logPoct/wat | 4.902 | Crippen Calculated Property | |
| McVol | 222.550 | ml/mol | McGowan Calculated Property |
| Pc | 2049.31 | kPa | Joback Calculated Property |
| Inp | [2268.00; 2268.00] |
|
|
| Inp | 2268.00 | NIST | |
| Inp | 2268.00 | NIST | |
| Tboil | 765.40 | K | Joback Calculated Property |
| Tc | 998.16 | K | Joback Calculated Property |
| Tfus | 461.31 | K | Joback Calculated Property |
| Vc | 0.845 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [596.38; 668.61] | J/mol×K | [765.40; 998.16] |
|
| Cp,gas | 596.38 | J/mol×K | 765.40 | Joback Calculated Property |
| Cp,gas | 611.18 | J/mol×K | 804.19 | Joback Calculated Property |
| Cp,gas | 624.81 | J/mol×K | 842.99 | Joback Calculated Property |
| Cp,gas | 637.32 | J/mol×K | 881.78 | Joback Calculated Property |
| Cp,gas | 648.76 | J/mol×K | 920.57 | Joback Calculated Property |
| Cp,gas | 659.17 | J/mol×K | 959.37 | Joback Calculated Property |
| Cp,gas | 668.61 | J/mol×K | 998.16 | Joback Calculated Property |
| η | [0.0000995; 0.0007967] | Pa×s | [461.31; 765.40] |
|
| η | 0.0007967 | Pa×s | 461.31 | Joback Calculated Property |
| η | 0.0004745 | Pa×s | 511.99 | Joback Calculated Property |
| η | 0.0003102 | Pa×s | 562.67 | Joback Calculated Property |
| η | 0.0002176 | Pa×s | 613.36 | Joback Calculated Property |
| η | 0.0001611 | Pa×s | 664.04 | Joback Calculated Property |
| η | 0.0001245 | Pa×s | 714.72 | Joback Calculated Property |
| η | 0.0000995 | Pa×s | 765.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 4-chlorophenyl ester.
Sources
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