- InChI
- InChI=1S/C14H18Cl2O2/c1-2-3-4-5-6-7-14(17)18-11-8-9-12(15)13(16)10-11/h8-10H,2-7H2,1H3
- InChI Key
- XRHJWXJKQKYIBL-UHFFFAOYSA-N
- Formula
- C14H18Cl2O2
- SMILES
- CCCCCCCC(=O)Oc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 289.20
- 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° | -97.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -394.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.28 | kJ/mol | Joback Calculated Property |
| log10WS | -5.67 | Crippen Calculated Property | |
| logPoct/wat | 5.259 | Crippen Calculated Property | |
| McVol | 216.280 | ml/mol | McGowan Calculated Property |
| Pc | 1908.57 | kPa | Joback Calculated Property |
| Inp | [1998.00; 1998.00] |
|
|
| Inp | 1998.00 | NIST | |
| Inp | 1998.00 | NIST | |
| Tboil | 707.51 | K | Joback Calculated Property |
| Tc | 916.48 | K | Joback Calculated Property |
| Tfus | 431.00 | K | Joback Calculated Property |
| Vc | 0.834 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [549.14; 620.43] | J/mol×K | [707.51; 916.48] |
|
| Cp,gas | 549.14 | J/mol×K | 707.51 | Joback Calculated Property |
| Cp,gas | 563.11 | J/mol×K | 742.34 | Joback Calculated Property |
| Cp,gas | 576.22 | J/mol×K | 777.17 | Joback Calculated Property |
| Cp,gas | 588.48 | J/mol×K | 811.99 | Joback Calculated Property |
| Cp,gas | 599.92 | J/mol×K | 846.82 | Joback Calculated Property |
| Cp,gas | 610.57 | J/mol×K | 881.65 | Joback Calculated Property |
| Cp,gas | 620.43 | J/mol×K | 916.48 | Joback Calculated Property |
| η | [0.0001268; 0.0009939] | Pa×s | [431.00; 707.51] |
|
| η | 0.0009939 | Pa×s | 431.00 | Joback Calculated Property |
| η | 0.0005975 | Pa×s | 477.08 | Joback Calculated Property |
| η | 0.0003929 | Pa×s | 523.17 | Joback Calculated Property |
| η | 0.0002765 | Pa×s | 569.25 | Joback Calculated Property |
| η | 0.0002051 | Pa×s | 615.34 | Joback Calculated Property |
| η | 0.0001586 | Pa×s | 661.42 | Joback Calculated Property |
| η | 0.0001268 | Pa×s | 707.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, 3,4-dichlorophenyl ester.
Sources
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