- InChI
- InChI=1S/C14H27ClO2/c1-17-14(16)12-10-8-6-4-2-3-5-7-9-11-13-15/h2-13H2,1H3
- InChI Key
- KABAILADUUZJOR-UHFFFAOYSA-N
- Formula
- C14H27ClO2
- SMILES
- COC(=O)CCCCCCCCCCCCCl
- Molecular Weight1
- 262.82
- 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.
- I : 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 | 0.7948 | Relay (1.0) Calculated Property | |
| ΔfG° | -178.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -672.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.689 | Crippen Calculated Property | |
| McVol | 227.800 | ml/mol | McGowan Calculated Property |
| Pc | 1534.26 | kPa | Joback Calculated Property |
| Inp | [1868.00; 1868.00] |
|
|
| Inp | 1868.00 | NIST | |
| Inp | 1868.00 | NIST | |
| I | [2330.00; 2330.00] |
|
|
| I | 2330.00 | NIST | |
| I | 2330.00 | NIST | |
| Tboil | 562.62 | K | Relay (1.0) Calculated Property |
| Tc | 759.53 | K | Relay (1.0) Calculated Property |
| Tfus | 297.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.865 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.72; 687.38] | J/mol×K | [633.44; 806.19] |
|
| Cp,gas | 600.72 | J/mol×K | 633.44 | Joback Calculated Property |
| Cp,gas | 616.89 | J/mol×K | 662.23 | Joback Calculated Property |
| Cp,gas | 632.35 | J/mol×K | 691.02 | Joback Calculated Property |
| Cp,gas | 647.12 | J/mol×K | 719.81 | Joback Calculated Property |
| Cp,gas | 661.20 | J/mol×K | 748.60 | Joback Calculated Property |
| Cp,gas | 674.62 | J/mol×K | 777.39 | Joback Calculated Property |
| Cp,gas | 687.38 | J/mol×K | 806.19 | Joback Calculated Property |
| η | [0.0001413; 0.0022752] | Pa×s | [349.62; 633.44] |
|
| η | 0.0022752 | Pa×s | 349.62 | Joback Calculated Property |
| η | 0.0010865 | Pa×s | 396.92 | Joback Calculated Property |
| η | 0.0006073 | Pa×s | 444.23 | Joback Calculated Property |
| η | 0.0003797 | Pa×s | 491.53 | Joback Calculated Property |
| η | 0.0002578 | Pa×s | 538.83 | Joback Calculated Property |
| η | 0.0001863 | Pa×s | 586.14 | Joback Calculated Property |
| η | 0.0001413 | Pa×s | 633.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 13-Chlorotridecanoic acid, methyl ester.
Sources
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