- InChI
- InChI=1S/C17H33ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20-2/h16H,3-15H2,1-2H3
- InChI Key
- ZWSOWVGTXJXORW-UHFFFAOYSA-N
- Formula
- C17H33ClO2
- SMILES
- CCCCCCCCCCCCCC(Cl)CC(=O)OC
- Molecular Weight1
- 304.90
- 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° | -156.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -660.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.59 | kJ/mol | Joback Calculated Property |
| log10WS | -6.07 | Crippen Calculated Property | |
| logPoct/wat | 5.858 | Crippen Calculated Property | |
| McVol | 270.070 | ml/mol | McGowan Calculated Property |
| Pc | 1245.97 | kPa | Joback Calculated Property |
| Inp | [2060.00; 2062.00] |
|
|
| Inp | 2060.00 | NIST | |
| Inp | 2062.00 | NIST | |
| I | [2485.00; 2490.00] |
|
|
| I | 2490.00 | NIST | |
| I | 2485.00 | NIST | |
| Tboil | 701.64 | K | Joback Calculated Property |
| Tc | 876.28 | K | Joback Calculated Property |
| Tfus | 368.43 | K | Joback Calculated Property |
| Vc | 1.054 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [767.83; 862.24] | J/mol×K | [701.64; 876.28] |
|
| Cp,gas | 767.83 | J/mol×K | 701.64 | Joback Calculated Property |
| Cp,gas | 785.61 | J/mol×K | 730.75 | Joback Calculated Property |
| Cp,gas | 802.54 | J/mol×K | 759.85 | Joback Calculated Property |
| Cp,gas | 818.65 | J/mol×K | 788.96 | Joback Calculated Property |
| Cp,gas | 833.96 | J/mol×K | 818.07 | Joback Calculated Property |
| Cp,gas | 848.48 | J/mol×K | 847.17 | Joback Calculated Property |
| Cp,gas | 862.24 | J/mol×K | 876.28 | Joback Calculated Property |
| η | [0.0000893; 0.0022085] | Pa×s | [368.43; 701.64] |
|
| η | 0.0022085 | Pa×s | 368.43 | Joback Calculated Property |
| η | 0.0009117 | Pa×s | 423.97 | Joback Calculated Property |
| η | 0.0004619 | Pa×s | 479.50 | Joback Calculated Property |
| η | 0.0002695 | Pa×s | 535.03 | Joback Calculated Property |
| η | 0.0001741 | Pa×s | 590.57 | Joback Calculated Property |
| η | 0.0001212 | Pa×s | 646.11 | Joback Calculated Property |
| η | 0.0000893 | Pa×s | 701.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorohexadecanoic acid, methyl ester.
Sources
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