- InChI
- InChI=1S/C15H29ClO2/c1-2-3-4-5-6-7-8-9-10-11-14-18-15(17)12-13-16/h2-14H2,1H3
- InChI Key
- NCUROSDPAOGNHW-UHFFFAOYSA-N
- Formula
- C15H29ClO2
- SMILES
- CCCCCCCCCCCCOC(=O)CCCl
- Molecular Weight1
- 276.84
- CAS
- 74316-16-8
- Other Names
-
- Propanoic acid, 3-chloro, dodecyl ester
- Dodecyl 3-chloropropanoate
- 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° | -170.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -613.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.52 | kJ/mol | Joback Calculated Property |
| log10WS | -5.12 | Crippen Calculated Property | |
| logPoct/wat | 5.079 | Crippen Calculated Property | |
| McVol | 241.890 | ml/mol | McGowan Calculated Property |
| Pc | 1425.07 | kPa | Joback Calculated Property |
| Inp | [1897.00; 1910.00] |
|
|
| Inp | 1897.00 | NIST | |
| Inp | 1903.00 | NIST | |
| Inp | 1904.00 | NIST | |
| Inp | 1904.00 | NIST | |
| Inp | 1909.00 | NIST | |
| Inp | 1910.00 | NIST | |
| Inp | 1904.00 | NIST | |
| Inp | 1897.00 | NIST | |
| Inp | 1910.00 | NIST | |
| I | [2368.00; 2397.00] |
|
|
| I | 2368.00 | NIST | |
| I | 2374.00 | NIST | |
| I | 2387.00 | NIST | |
| I | 2397.00 | NIST | |
| I | 2381.00 | NIST | |
| I | 2368.00 | NIST | |
| Tboil | 656.32 | K | Joback Calculated Property |
| Tc | 828.65 | K | Joback Calculated Property |
| Tfus | 360.89 | K | Joback Calculated Property |
| Vc | 0.949 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.00; 744.13] | J/mol×K | [656.32; 828.65] |
|
| Cp,gas | 655.00 | J/mol×K | 656.32 | Joback Calculated Property |
| Cp,gas | 671.67 | J/mol×K | 685.04 | Joback Calculated Property |
| Cp,gas | 687.59 | J/mol×K | 713.76 | Joback Calculated Property |
| Cp,gas | 702.78 | J/mol×K | 742.49 | Joback Calculated Property |
| Cp,gas | 717.25 | J/mol×K | 771.21 | Joback Calculated Property |
| Cp,gas | 731.03 | J/mol×K | 799.93 | Joback Calculated Property |
| Cp,gas | 744.13 | J/mol×K | 828.65 | Joback Calculated Property |
| η | [0.0001250; 0.0021007] | Pa×s | [360.89; 656.32] |
|
| η | 0.0021007 | Pa×s | 360.89 | Joback Calculated Property |
| η | 0.0009897 | Pa×s | 410.13 | Joback Calculated Property |
| η | 0.0005479 | Pa×s | 459.37 | Joback Calculated Property |
| η | 0.0003401 | Pa×s | 508.60 | Joback Calculated Property |
| η | 0.0002297 | Pa×s | 557.84 | Joback Calculated Property |
| η | 0.0001653 | Pa×s | 607.08 | Joback Calculated Property |
| η | 0.0001250 | Pa×s | 656.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloropropionic acid, dodecyl ester.
Sources
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