- InChI
- InChI=1S/C12H13Cl3O2/c13-7-3-1-2-4-12(16)17-9-5-6-10(14)11(15)8-9/h5-6,8H,1-4,7H2
- InChI Key
- IBFRHXSHKRZPDS-UHFFFAOYSA-N
- Formula
- C12H13Cl3O2
- SMILES
- O=C(CCCCCCl)Oc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 295.59
- 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 | 0.7339 | Relay (1.0) Calculated Property | |
| ΔfG° | -126.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -444.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.698 | Crippen Calculated Property | |
| McVol | 200.340 | ml/mol | McGowan Calculated Property |
| Pc | 2195.89 | kPa | Joback Calculated Property |
| Inp | [2090.00; 2090.00] |
|
|
| Inp | 2090.00 | NIST | |
| Inp | 2090.00 | NIST | |
| Tboil | 587.25 | K | Relay (1.0) Calculated Property |
| Tc | 840.89 | K | Relay (1.0) Calculated Property |
| Tfus | 308.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.714 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [470.43; 530.33] | J/mol×K | [699.18; 917.61] |
|
| Cp,gas | 470.43 | J/mol×K | 699.18 | Joback Calculated Property |
| Cp,gas | 482.35 | J/mol×K | 735.59 | Joback Calculated Property |
| Cp,gas | 493.46 | J/mol×K | 771.99 | Joback Calculated Property |
| Cp,gas | 503.80 | J/mol×K | 808.40 | Joback Calculated Property |
| Cp,gas | 513.37 | J/mol×K | 844.80 | Joback Calculated Property |
| Cp,gas | 522.21 | J/mol×K | 881.21 | Joback Calculated Property |
| Cp,gas | 530.33 | J/mol×K | 917.61 | Joback Calculated Property |
| η | [0.0001458; 0.0009923] | Pa×s | [438.38; 699.18] |
|
| η | 0.0009923 | Pa×s | 438.38 | Joback Calculated Property |
| η | 0.0006241 | Pa×s | 481.85 | Joback Calculated Property |
| η | 0.0004238 | Pa×s | 525.31 | Joback Calculated Property |
| η | 0.0003054 | Pa×s | 568.78 | Joback Calculated Property |
| η | 0.0002305 | Pa×s | 612.25 | Joback Calculated Property |
| η | 0.0001806 | Pa×s | 655.71 | Joback Calculated Property |
| η | 0.0001458 | Pa×s | 699.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Chlorohexanoic acid, 3,4-dichlorophenyl ester.
Sources
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