- InChI
- InChI=1S/C13H23ClO3/c1-5-7-9-10(8-6-2)17-12(16)13(3,4)11(14)15/h10H,5-9H2,1-4H3
- InChI Key
- KOACAVSGVBGTGN-UHFFFAOYSA-N
- Formula
- C13H23ClO3
- SMILES
- CCCCC(CCC)OC(=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 | 0.6247 | Relay (1.0) Calculated Property | |
| ΔfG° | -315.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -786.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.680 | Crippen Calculated Property | |
| McVol | 215.280 | ml/mol | McGowan Calculated Property |
| Pc | 1784.86 | kPa | Joback Calculated Property |
| Inp | 1477.00 | NIST | |
| Tboil | 513.23 | K | Relay (1.0) Calculated Property |
| Tc | 710.51 | K | Relay (1.0) Calculated Property |
| Tfus | 228.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.793 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [574.05; 653.51] | J/mol×K | [660.76; 852.92] | 
|
| Cp,gas | 574.05 | J/mol×K | 660.76 | Joback Calculated Property |
| Cp,gas | 589.33 | J/mol×K | 692.79 | Joback Calculated Property |
| Cp,gas | 603.76 | J/mol×K | 724.81 | Joback Calculated Property |
| Cp,gas | 617.36 | J/mol×K | 756.84 | Joback Calculated Property |
| Cp,gas | 630.17 | J/mol×K | 788.87 | Joback Calculated Property |
| Cp,gas | 642.21 | J/mol×K | 820.90 | Joback Calculated Property |
| Cp,gas | 653.51 | J/mol×K | 852.92 | Joback Calculated Property |
| η | [0.0001266; 0.0025016] | Pa×s | [375.70; 660.76] |
|
| η | 0.0025016 | Pa×s | 375.70 | Joback Calculated Property |
| η | 0.0011508 | Pa×s | 423.21 | Joback Calculated Property |
| η | 0.0006192 | Pa×s | 470.72 | Joback Calculated Property |
| η | 0.0003733 | Pa×s | 518.23 | Joback Calculated Property |
| η | 0.0002450 | Pa×s | 565.74 | Joback Calculated Property |
| η | 0.0001716 | Pa×s | 613.25 | Joback Calculated Property |
| η | 0.0001266 | Pa×s | 660.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, monochloride, 4-octyl ester.
Sources
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