- InChI
- InChI=1S/C16H15ClO2/c1-11(2)12-6-8-15(9-7-12)19-16(18)13-4-3-5-14(17)10-13/h3-11H,1-2H3
- InChI Key
- MIEAXDYYVFWBLV-UHFFFAOYSA-N
- Formula
- C16H15ClO2
- SMILES
-
CC(C)c1ccc(OC(=O)c2cccc(Cl)c2)
cc1 - Molecular Weight1
- 274.74
- 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° | 41.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -189.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.24 | kJ/mol | Joback Calculated Property |
| log10WS | -5.43 | Crippen Calculated Property | |
| logPoct/wat | 4.683 | Crippen Calculated Property | |
| McVol | 208.460 | ml/mol | McGowan Calculated Property |
| Pc | 2256.81 | kPa | Joback Calculated Property |
| Inp | 2168.00 | NIST | |
| Tboil | 742.08 | K | Joback Calculated Property |
| Tc | 983.66 | K | Joback Calculated Property |
| Tfus | 435.04 | K | Joback Calculated Property |
| Vc | 0.782 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [543.15; 614.53] | J/mol×K | [742.08; 983.66] | 
|
| Cp,gas | 543.15 | J/mol×K | 742.08 | Joback Calculated Property |
| Cp,gas | 557.92 | J/mol×K | 782.34 | Joback Calculated Property |
| Cp,gas | 571.48 | J/mol×K | 822.61 | Joback Calculated Property |
| Cp,gas | 583.88 | J/mol×K | 862.87 | Joback Calculated Property |
| Cp,gas | 595.15 | J/mol×K | 903.13 | Joback Calculated Property |
| Cp,gas | 605.35 | J/mol×K | 943.40 | Joback Calculated Property |
| Cp,gas | 614.53 | J/mol×K | 983.66 | Joback Calculated Property |
| η | [0.0001034; 0.0009748] | Pa×s | [435.04; 742.08] |
|
| η | 0.0009748 | Pa×s | 435.04 | Joback Calculated Property |
| η | 0.0005509 | Pa×s | 486.21 | Joback Calculated Property |
| η | 0.0003471 | Pa×s | 537.39 | Joback Calculated Property |
| η | 0.0002370 | Pa×s | 588.56 | Joback Calculated Property |
| η | 0.0001720 | Pa×s | 639.73 | Joback Calculated Property |
| η | 0.0001309 | Pa×s | 690.91 | Joback Calculated Property |
| η | 0.0001034 | Pa×s | 742.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorobenzoic acid, 4-isopropylphenyl ester.
Sources
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