- InChI
- InChI=1S/C19H13ClO2/c20-16-10-6-9-15(13-16)19(21)22-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13H
- InChI Key
- PLCHZGCESRFODF-UHFFFAOYSA-N
- Formula
- C19H13ClO2
- SMILES
-
O=C(Oc1ccccc1-c1ccccc1)c1cccc(
Cl)c1 - Molecular Weight1
- 308.76
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6669 | Relay (1.0) Calculated Property | |
| ΔfG° | 181.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -71.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.226 | Crippen Calculated Property | |
| McVol | 226.970 | ml/mol | McGowan Calculated Property |
| Pc | 2333.78 | kPa | Joback Calculated Property |
| Inp | 2429.00 | NIST | |
| Tboil | 673.22 | K | Relay (1.0) Calculated Property |
| Tc | 984.38 | K | Relay (1.0) Calculated Property |
| Tfus | 338.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.818 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [611.13; 672.23] | J/mol×K | [837.84; 1102.95] | 
|
| Cp,gas | 611.13 | J/mol×K | 837.84 | Joback Calculated Property |
| Cp,gas | 624.56 | J/mol×K | 882.02 | Joback Calculated Property |
| Cp,gas | 636.56 | J/mol×K | 926.21 | Joback Calculated Property |
| Cp,gas | 647.24 | J/mol×K | 970.39 | Joback Calculated Property |
| Cp,gas | 656.67 | J/mol×K | 1014.58 | Joback Calculated Property |
| Cp,gas | 664.97 | J/mol×K | 1058.76 | Joback Calculated Property |
| Cp,gas | 672.23 | J/mol×K | 1102.95 | Joback Calculated Property |
| η | [0.0000796; 0.0006004] | Pa×s | [510.27; 837.84] |
|
| η | 0.0006004 | Pa×s | 510.27 | Joback Calculated Property |
| η | 0.0003644 | Pa×s | 564.87 | Joback Calculated Property |
| η | 0.0002415 | Pa×s | 619.46 | Joback Calculated Property |
| η | 0.0001711 | Pa×s | 674.06 | Joback Calculated Property |
| η | 0.0001276 | Pa×s | 728.65 | Joback Calculated Property |
| η | 0.0000991 | Pa×s | 783.25 | Joback Calculated Property |
| η | 0.0000796 | Pa×s | 837.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorobenzoic acid, 2-biphenyl ester.
Sources
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