- InChI
- InChI=1S/C16H14Cl2O2/c1-2-12(11-7-4-3-5-8-11)16(19)20-14-10-6-9-13(17)15(14)18/h3-10,12H,2H2,1H3
- InChI Key
- HTFWNXCXBGHKCV-UHFFFAOYSA-N
- Formula
- C16H14Cl2O2
- SMILES
-
CCC(C(=O)Oc1cccc(Cl)c1Cl)c1ccc
cc1 - Molecular Weight1
- 309.19
- 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 | 0.6098 | Relay (1.0) Calculated Property | |
| ΔfG° | 29.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -278.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.093 | Crippen Calculated Property | |
| McVol | 220.700 | ml/mol | McGowan Calculated Property |
| Pc | 2179.52 | kPa | Joback Calculated Property |
| Inp | [2199.00; 2199.00] |
|
|
| Inp | 2199.00 | NIST | |
| Inp | 2199.00 | NIST | |
| Tboil | 620.30 | K | Relay (1.0) Calculated Property |
| Tc | 900.13 | K | Relay (1.0) Calculated Property |
| Tfus | 348.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.773 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [566.97; 630.72] | J/mol×K | [779.51; 1023.23] |
|
| Cp,gas | 566.97 | J/mol×K | 779.51 | Joback Calculated Property |
| Cp,gas | 580.38 | J/mol×K | 820.13 | Joback Calculated Property |
| Cp,gas | 592.60 | J/mol×K | 860.75 | Joback Calculated Property |
| Cp,gas | 603.70 | J/mol×K | 901.37 | Joback Calculated Property |
| Cp,gas | 613.71 | J/mol×K | 941.99 | Joback Calculated Property |
| Cp,gas | 622.70 | J/mol×K | 982.61 | Joback Calculated Property |
| Cp,gas | 630.72 | J/mol×K | 1023.23 | Joback Calculated Property |
| η | [0.0000928; 0.0008337] | Pa×s | [464.96; 779.51] |
|
| η | 0.0008337 | Pa×s | 464.96 | Joback Calculated Property |
| η | 0.0004804 | Pa×s | 517.38 | Joback Calculated Property |
| η | 0.0003063 | Pa×s | 569.81 | Joback Calculated Property |
| η | 0.0002107 | Pa×s | 622.24 | Joback Calculated Property |
| η | 0.0001536 | Pa×s | 674.66 | Joback Calculated Property |
| η | 0.0001172 | Pa×s | 727.09 | Joback Calculated Property |
| η | 0.0000928 | Pa×s | 779.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, 2,3-dichlorophenyl ester.
Sources
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