- InChI
- InChI=1S/C13H23ClO3/c1-4-5-6-7-8-9-10-17-12(16)13(2,3)11(14)15/h4-10H2,1-3H3
- InChI Key
- CNMCEFNYJFNGNI-UHFFFAOYSA-N
- Formula
- C13H23ClO3
- SMILES
- CCCCCCCCOC(=O)C(C)(C)C(=O)Cl
- Molecular Weight1
- 262.77
- 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 | 0.6832 | Relay (1.0) Calculated Property | |
| ΔfG° | -313.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -776.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.682 | Crippen Calculated Property | |
| McVol | 215.280 | ml/mol | McGowan Calculated Property |
| Pc | 1772.85 | kPa | Joback Calculated Property |
| Inp | 1598.00 | NIST | |
| Tboil | 525.25 | K | Relay (1.0) Calculated Property |
| Tc | 723.47 | K | Relay (1.0) Calculated Property |
| Tfus | 262.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.806 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [573.58; 651.87] | J/mol×K | [661.20; 850.26] | 
|
| Cp,gas | 573.58 | J/mol×K | 661.20 | Joback Calculated Property |
| Cp,gas | 588.58 | J/mol×K | 692.71 | Joback Calculated Property |
| Cp,gas | 602.76 | J/mol×K | 724.22 | Joback Calculated Property |
| Cp,gas | 616.15 | J/mol×K | 755.73 | Joback Calculated Property |
| Cp,gas | 628.78 | J/mol×K | 787.24 | Joback Calculated Property |
| Cp,gas | 640.68 | J/mol×K | 818.75 | Joback Calculated Property |
| Cp,gas | 651.87 | J/mol×K | 850.26 | Joback Calculated Property |
| η | [0.0001363; 0.0019909] | Pa×s | [390.70; 661.20] |
|
| η | 0.0019909 | Pa×s | 390.70 | Joback Calculated Property |
| η | 0.0010105 | Pa×s | 435.78 | Joback Calculated Property |
| η | 0.0005825 | Pa×s | 480.87 | Joback Calculated Property |
| η | 0.0003690 | Pa×s | 525.95 | Joback Calculated Property |
| η | 0.0002512 | Pa×s | 571.03 | Joback Calculated Property |
| η | 0.0001810 | Pa×s | 616.12 | Joback Calculated Property |
| η | 0.0001363 | Pa×s | 661.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, monochloride, octyl ester.
Sources
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