- InChI
- InChI=1S/C10H11ClO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
- InChI Key
- BLEFFSGNRQPNCA-UHFFFAOYSA-N
- Formula
- C10H11ClO2
- SMILES
- CCCOC(=O)c1ccc(Cl)cc1
- Molecular Weight1
- 198.65
- CAS
- 25800-30-0
- Other Names
-
- Propyl 4-chlorobenzoate
- Benzoic acid, 4-chloro, propyl ester
- 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° | -109.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -285.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.33 | kJ/mol | Joback Calculated Property |
| log10WS | -3.24 | Crippen Calculated Property | |
| logPoct/wat | 2.907 | Crippen Calculated Property | |
| McVol | 147.680 | ml/mol | McGowan Calculated Property |
| Pc | 2912.39 | kPa | Joback Calculated Property |
| Inp | [1406.00; 1434.00] |
|
|
| Inp | 1419.00 | NIST | |
| Inp | 1428.00 | NIST | |
| Inp | 1434.00 | NIST | |
| Inp | 1420.00 | NIST | |
| Inp | 1406.00 | NIST | |
| Inp | 1415.00 | NIST | |
| Inp | 1420.00 | NIST | |
| Inp | 1419.00 | NIST | |
| I | [1912.00; 2001.00] |
|
|
| I | 1970.00 | NIST | |
| I | 1974.00 | NIST | |
| I | 2001.00 | NIST | |
| I | 1948.00 | NIST | |
| I | 1912.00 | NIST | |
| I | 1934.00 | NIST | |
| I | 1948.00 | NIST | |
| Tboil | 573.58 | K | Joback Calculated Property |
| Tc | 791.74 | K | Joback Calculated Property |
| Tfus | 343.48 | K | Joback Calculated Property |
| Vc | 0.560 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.95; 390.20] | J/mol×K | [573.58; 791.74] |
|
| Cp,gas | 325.95 | J/mol×K | 573.58 | Joback Calculated Property |
| Cp,gas | 338.44 | J/mol×K | 609.94 | Joback Calculated Property |
| Cp,gas | 350.20 | J/mol×K | 646.30 | Joback Calculated Property |
| Cp,gas | 361.23 | J/mol×K | 682.66 | Joback Calculated Property |
| Cp,gas | 371.57 | J/mol×K | 719.02 | Joback Calculated Property |
| Cp,gas | 381.22 | J/mol×K | 755.38 | Joback Calculated Property |
| Cp,gas | 390.20 | J/mol×K | 791.74 | Joback Calculated Property |
| η | [0.0002099; 0.0016661] | Pa×s | [343.48; 573.58] |
|
| η | 0.0016661 | Pa×s | 343.48 | Joback Calculated Property |
| η | 0.0009919 | Pa×s | 381.83 | Joback Calculated Property |
| η | 0.0006491 | Pa×s | 420.18 | Joback Calculated Property |
| η | 0.0004560 | Pa×s | 458.53 | Joback Calculated Property |
| η | 0.0003383 | Pa×s | 496.88 | Joback Calculated Property |
| η | 0.0002619 | Pa×s | 535.23 | Joback Calculated Property |
| η | 0.0002099 | Pa×s | 573.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobenzoic acid, propyl ester.
Sources
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