- InChI
- InChI=1S/C10H17ClO3/c1-2-14-10(13)8-6-4-3-5-7-9(11)12/h2-8H2,1H3
- InChI Key
- ZKXJSBHGOFAICL-UHFFFAOYSA-N
- Formula
- C10H17ClO3
- SMILES
- CCOC(=O)CCCCCCC(=O)Cl
- Molecular Weight1
- 220.69
- CAS
- 14113-02-1
- Other Names
-
- Ethyl 8-chloro-8-oxooctanoate
- ethyl 7-chloro-7-formylheptanoate
- 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° | -341.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -622.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.14 | kJ/mol | Joback Calculated Property |
| log10WS | -2.80 | Crippen Calculated Property | |
| logPoct/wat | 2.655 | Crippen Calculated Property | |
| McVol | 173.010 | ml/mol | McGowan Calculated Property |
| Pc | 2254.67 | kPa | Joback Calculated Property |
| Inp | 1513.00 | NIST | |
| Tboil | 595.79 | K | Joback Calculated Property |
| Tc | 781.25 | K | Joback Calculated Property |
| Tfus | 354.47 | K | Joback Calculated Property |
| Vc | 0.674 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.29; 485.83] | J/mol×K | [595.79; 781.25] | 
|
| Cp,gas | 418.29 | J/mol×K | 595.79 | Joback Calculated Property |
| Cp,gas | 431.00 | J/mol×K | 626.70 | Joback Calculated Property |
| Cp,gas | 443.12 | J/mol×K | 657.61 | Joback Calculated Property |
| Cp,gas | 454.65 | J/mol×K | 688.52 | Joback Calculated Property |
| Cp,gas | 465.61 | J/mol×K | 719.43 | Joback Calculated Property |
| Cp,gas | 476.00 | J/mol×K | 750.34 | Joback Calculated Property |
| Cp,gas | 485.83 | J/mol×K | 781.25 | Joback Calculated Property |
| η | [0.0002256; 0.0023152] | Pa×s | [354.47; 595.79] |
|
| η | 0.0023152 | Pa×s | 354.47 | Joback Calculated Property |
| η | 0.0012887 | Pa×s | 394.69 | Joback Calculated Property |
| η | 0.0007995 | Pa×s | 434.91 | Joback Calculated Property |
| η | 0.0005377 | Pa×s | 475.13 | Joback Calculated Property |
| η | 0.0003847 | Pa×s | 515.35 | Joback Calculated Property |
| η | 0.0002890 | Pa×s | 555.57 | Joback Calculated Property |
| η | 0.0002256 | Pa×s | 595.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, 8-chloro-8-oxo-, ethyl ester.
Sources
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