- InChI
- InChI=1S/C14H10Cl2O2/c15-12-6-10(7-13(16)8-12)9-18-14(17)11-4-2-1-3-5-11/h1-8H,9H2
- InChI Key
- JHQPFGRCOOYMSI-UHFFFAOYSA-N
- Formula
- C14H10Cl2O2
- SMILES
-
O=C(OCc1cc(Cl)cc(Cl)c1)c1ccccc
1 - Molecular Weight1
- 281.13
- 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 | 0.6263 | Relay (1.0) Calculated Property | |
| ΔfG° | 14.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -210.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.350 | Crippen Calculated Property | |
| McVol | 192.520 | ml/mol | McGowan Calculated Property |
| Pc | 2608.40 | kPa | Joback Calculated Property |
| Inp | 2160.00 | NIST | |
| Tboil | 606.37 | K | Relay (1.0) Calculated Property |
| Tc | 876.67 | K | Relay (1.0) Calculated Property |
| Tfus | 306.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.694 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.35; 519.85] | J/mol×K | [734.19; 983.40] | 
|
| Cp,gas | 461.35 | J/mol×K | 734.19 | Joback Calculated Property |
| Cp,gas | 473.70 | J/mol×K | 775.73 | Joback Calculated Property |
| Cp,gas | 484.94 | J/mol×K | 817.26 | Joback Calculated Property |
| Cp,gas | 495.13 | J/mol×K | 858.80 | Joback Calculated Property |
| Cp,gas | 504.32 | J/mol×K | 900.33 | Joback Calculated Property |
| Cp,gas | 512.54 | J/mol×K | 941.87 | Joback Calculated Property |
| Cp,gas | 519.85 | J/mol×K | 983.40 | Joback Calculated Property |
| η | [0.0001289; 0.0008610] | Pa×s | [457.42; 734.19] |
|
| η | 0.0008610 | Pa×s | 457.42 | Joback Calculated Property |
| η | 0.0005428 | Pa×s | 503.55 | Joback Calculated Property |
| η | 0.0003697 | Pa×s | 549.68 | Joback Calculated Property |
| η | 0.0002673 | Pa×s | 595.81 | Joback Calculated Property |
| η | 0.0002024 | Pa×s | 641.93 | Joback Calculated Property |
| η | 0.0001591 | Pa×s | 688.06 | Joback Calculated Property |
| η | 0.0001289 | Pa×s | 734.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, (3,5-dichlorophenyl)methyl ester.
Sources
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