- InChI
- InChI=1S/C14H27ClO2/c1-3-4-5-6-7-8-9-10-11-12-17-14(16)13(2)15/h13H,3-12H2,1-2H3
- InChI Key
- WYHSVCIJFGERBN-UHFFFAOYSA-N
- Formula
- C14H27ClO2
- SMILES
- CCCCCCCCCCCOC(=O)C(C)Cl
- Molecular Weight1
- 262.82
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -181.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -598.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.91 | kJ/mol | Joback Calculated Property |
| log10WS | -4.81 | Crippen Calculated Property | |
| logPoct/wat | 4.688 | Crippen Calculated Property | |
| McVol | 227.800 | ml/mol | McGowan Calculated Property |
| Pc | 1543.92 | kPa | Joback Calculated Property |
| Inp | [1719.00; 1738.00] |
|
|
| Inp | 1719.00 | NIST | |
| Inp | 1725.00 | NIST | |
| Inp | 1729.00 | NIST | |
| Inp | 1729.00 | NIST | |
| Inp | 1728.00 | NIST | |
| Inp | 1736.00 | NIST | |
| Inp | 1738.00 | NIST | |
| Inp | 1719.00 | NIST | |
| Inp | 1736.00 | NIST | |
| I | [2112.00; 2145.00] |
|
|
| I | 2112.00 | NIST | |
| I | 2115.00 | NIST | |
| I | 2126.00 | NIST | |
| I | 2133.00 | NIST | |
| I | 2145.00 | NIST | |
| I | 2112.00 | NIST | |
| Tboil | 633.00 | K | Joback Calculated Property |
| Tc | 808.33 | K | Joback Calculated Property |
| Tfus | 334.62 | K | Joback Calculated Property |
| Vc | 0.886 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.12; 689.06] | J/mol×K | [633.00; 808.33] |
|
| Cp,gas | 601.12 | J/mol×K | 633.00 | Joback Calculated Property |
| Cp,gas | 617.58 | J/mol×K | 662.22 | Joback Calculated Property |
| Cp,gas | 633.29 | J/mol×K | 691.44 | Joback Calculated Property |
| Cp,gas | 648.28 | J/mol×K | 720.66 | Joback Calculated Property |
| Cp,gas | 662.56 | J/mol×K | 749.89 | Joback Calculated Property |
| Cp,gas | 676.15 | J/mol×K | 779.11 | Joback Calculated Property |
| Cp,gas | 689.06 | J/mol×K | 808.33 | Joback Calculated Property |
| η | [0.0001315; 0.0029420] | Pa×s | [334.62; 633.00] |
|
| η | 0.0029420 | Pa×s | 334.62 | Joback Calculated Property |
| η | 0.0012536 | Pa×s | 384.35 | Joback Calculated Property |
| η | 0.0006495 | Pa×s | 434.08 | Joback Calculated Property |
| η | 0.0003852 | Pa×s | 483.81 | Joback Calculated Property |
| η | 0.0002518 | Pa×s | 533.54 | Joback Calculated Property |
| η | 0.0001770 | Pa×s | 583.27 | Joback Calculated Property |
| η | 0.0001315 | Pa×s | 633.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-chloro, undecyl ester.
Sources
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