- InChI
- InChI=1S/C14H17ClO2/c1-2-3-5-12-6-8-13(9-7-12)14(16)17-11-4-10-15/h4,6-10H,2-3,5,11H2,1H3/b10-4+
- InChI Key
- FDTZLBPFIUPWST-ONNFQVAWSA-N
- Formula
- C14H17ClO2
- SMILES
- CCCCc1ccc(C(=O)OCC=CCl)cc1
- Molecular Weight1
- 252.74
- 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° | 4.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -250.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.20 | kJ/mol | Joback Calculated Property |
| log10WS | -4.69 | Crippen Calculated Property | |
| logPoct/wat | 3.938 | Crippen Calculated Property | |
| McVol | 199.740 | ml/mol | McGowan Calculated Property |
| Pc | 2094.58 | kPa | Joback Calculated Property |
| Inp | 1930.40 | NIST | |
| Tboil | 669.26 | K | Joback Calculated Property |
| Tc | 881.69 | K | Joback Calculated Property |
| Tfus | 383.48 | K | Joback Calculated Property |
| Vc | 0.764 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [500.61; 575.29] | J/mol×K | [669.26; 881.69] | 
|
| Cp,gas | 500.61 | J/mol×K | 669.26 | Joback Calculated Property |
| Cp,gas | 515.20 | J/mol×K | 704.67 | Joback Calculated Property |
| Cp,gas | 528.88 | J/mol×K | 740.07 | Joback Calculated Property |
| Cp,gas | 541.68 | J/mol×K | 775.48 | Joback Calculated Property |
| Cp,gas | 553.66 | J/mol×K | 810.88 | Joback Calculated Property |
| Cp,gas | 564.85 | J/mol×K | 846.29 | Joback Calculated Property |
| Cp,gas | 575.29 | J/mol×K | 881.69 | Joback Calculated Property |
| η | [0.0001204; 0.0012851] | Pa×s | [383.48; 669.26] |
|
| η | 0.0012851 | Pa×s | 383.48 | Joback Calculated Property |
| η | 0.0006964 | Pa×s | 431.11 | Joback Calculated Property |
| η | 0.0004263 | Pa×s | 478.74 | Joback Calculated Property |
| η | 0.0002852 | Pa×s | 526.37 | Joback Calculated Property |
| η | 0.0002040 | Pa×s | 574.00 | Joback Calculated Property |
| η | 0.0001535 | Pa×s | 621.63 | Joback Calculated Property |
| η | 0.0001204 | Pa×s | 669.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 3-chloroprop-2-enyl ester.
Sources
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