- InChI
- InChI=1S/C11H13ClO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8H2,1H3
- InChI Key
- PBPVJPWUWLGOEC-UHFFFAOYSA-N
- Formula
- C11H13ClO2
- SMILES
- CCCCOC(=O)c1ccc(Cl)cc1
- Molecular Weight1
- 212.67
- CAS
- 27942-64-9
- Other Names
-
- 4-Chlorobenzoic acid, butyl ester
- Butyl 4-chlorobenzoate
- 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.
- I : 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° | -101.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -305.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.56 | kJ/mol | Joback Calculated Property |
| log10WS | -3.65 | Crippen Calculated Property | |
| logPoct/wat | 3.297 | Crippen Calculated Property | |
| McVol | 161.770 | ml/mol | McGowan Calculated Property |
| Pc | 2632.55 | kPa | Joback Calculated Property |
| Inp | [1508.00; 1539.00] |
|
|
| Inp | 1524.00 | NIST | |
| Inp | 1518.00 | NIST | |
| Inp | 1518.00 | NIST | |
| Inp | 1528.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1524.00 | NIST | |
| Inp | 1508.00 | NIST | |
| Inp | 1518.00 | NIST | |
| I | [2017.00; 2102.00] |
|
|
| I | 2065.00 | NIST | |
| I | 2073.00 | NIST | |
| I | 2102.00 | NIST | |
| I | 2057.00 | NIST | |
| I | 2017.00 | NIST | |
| I | 2038.00 | NIST | |
| Tboil | 596.46 | K | Joback Calculated Property |
| Tc | 810.87 | K | Joback Calculated Property |
| Tfus | 354.75 | K | Joback Calculated Property |
| Vc | 0.617 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.82; 441.35] | J/mol×K | [596.46; 810.87] |
|
| Cp,gas | 372.82 | J/mol×K | 596.46 | Joback Calculated Property |
| Cp,gas | 386.14 | J/mol×K | 632.19 | Joback Calculated Property |
| Cp,gas | 398.67 | J/mol×K | 667.93 | Joback Calculated Property |
| Cp,gas | 410.44 | J/mol×K | 703.66 | Joback Calculated Property |
| Cp,gas | 421.46 | J/mol×K | 739.40 | Joback Calculated Property |
| Cp,gas | 431.76 | J/mol×K | 775.13 | Joback Calculated Property |
| Cp,gas | 441.35 | J/mol×K | 810.87 | Joback Calculated Property |
| η | [0.0001915; 0.0016178] | Pa×s | [354.75; 596.46] |
|
| η | 0.0016178 | Pa×s | 354.75 | Joback Calculated Property |
| η | 0.0009457 | Pa×s | 395.04 | Joback Calculated Property |
| η | 0.0006105 | Pa×s | 435.32 | Joback Calculated Property |
| η | 0.0004245 | Pa×s | 475.61 | Joback Calculated Property |
| η | 0.0003124 | Pa×s | 515.89 | Joback Calculated Property |
| η | 0.0002403 | Pa×s | 556.17 | Joback Calculated Property |
| η | 0.0001915 | Pa×s | 596.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-chloro-, butyl ester.
Sources
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