- InChI
- InChI=1S/C12H23ClO3/c1-11(7-9-15-2)10-16-12(14)6-4-3-5-8-13/h11H,3-10H2,1-2H3
- InChI Key
- LGSOBKQSTTXLJH-UHFFFAOYSA-N
- Formula
- C12H23ClO3
- SMILES
- COCCC(C)COC(=O)CCCCCCl
- Molecular Weight1
- 250.76
- 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 | 0.7218 | Relay (1.0) Calculated Property | |
| ΔfG° | -303.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -766.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.001 | Crippen Calculated Property | |
| McVol | 205.490 | ml/mol | McGowan Calculated Property |
| Pc | 1780.34 | kPa | Joback Calculated Property |
| Inp | 1764.00 | NIST | |
| Tboil | 556.07 | K | Relay (1.0) Calculated Property |
| Tc | 733.59 | K | Relay (1.0) Calculated Property |
| Tfus | 221.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.746 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.28; 605.46] | J/mol×K | [609.66; 786.71] | 
|
| Cp,gas | 524.28 | J/mol×K | 609.66 | Joback Calculated Property |
| Cp,gas | 539.41 | J/mol×K | 639.17 | Joback Calculated Property |
| Cp,gas | 553.90 | J/mol×K | 668.68 | Joback Calculated Property |
| Cp,gas | 567.75 | J/mol×K | 698.19 | Joback Calculated Property |
| Cp,gas | 580.95 | J/mol×K | 727.70 | Joback Calculated Property |
| Cp,gas | 593.52 | J/mol×K | 757.20 | Joback Calculated Property |
| Cp,gas | 605.46 | J/mol×K | 786.71 | Joback Calculated Property |
| η | [0.0001302; 0.0023446] | Pa×s | [334.31; 609.66] |
|
| η | 0.0023446 | Pa×s | 334.31 | Joback Calculated Property |
| η | 0.0010828 | Pa×s | 380.20 | Joback Calculated Property |
| η | 0.0005906 | Pa×s | 426.09 | Joback Calculated Property |
| η | 0.0003624 | Pa×s | 471.99 | Joback Calculated Property |
| η | 0.0002425 | Pa×s | 517.88 | Joback Calculated Property |
| η | 0.0001732 | Pa×s | 563.77 | Joback Calculated Property |
| η | 0.0001302 | Pa×s | 609.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Chlorohexanoic acid, 4-methoxy-2-methylbutyl ester.
Sources
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