- InChI
- InChI=1S/C14H27ClO2/c1-2-3-4-5-6-7-8-9-10-13-17-14(16)11-12-15/h2-13H2,1H3
- InChI Key
- MEBJHQDVCFHKMD-UHFFFAOYSA-N
- Formula
- C14H27ClO2
- SMILES
- CCCCCCCCCCCOC(=O)CCCl
- Molecular Weight1
- 262.82
- CAS
- 74306-07-3
- Other Names
-
- Propanoic acid, 3-chloro, undecyl ester
- 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 | 0.8018 | Relay (1.0) Calculated Property | |
| ΔfG° | -178.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -678.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.18 | 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 | [1790.00; 1810.00] |
|
|
| Inp | 1790.00 | NIST | |
| Inp | 1797.00 | NIST | |
| Inp | 1801.00 | NIST | |
| Inp | 1803.00 | NIST | |
| Inp | 1803.00 | NIST | |
| Inp | 1807.00 | NIST | |
| Inp | 1810.00 | NIST | |
| Inp | 1790.00 | NIST | |
| Inp | 1807.00 | NIST | |
| I | [2269.00; 2308.00] |
|
|
| I | 2269.00 | NIST | |
| I | 2274.00 | NIST | |
| I | 2286.00 | NIST | |
| I | 2297.00 | NIST | |
| I | 2308.00 | NIST | |
| I | 2269.00 | NIST | |
| Tboil | 567.25 | K | Relay (1.0) Calculated Property |
| Tc | 753.33 | K | Relay (1.0) Calculated Property |
| Tfus | 271.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.866 | 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 3-Chlropropionic acid, undecyl ester.
Sources
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