- InChI
- InChI=1S/C19H37ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19(21)18(2)20/h18H,3-17H2,1-2H3
- InChI Key
- UHVQFSUSOVXCEO-UHFFFAOYSA-N
- Formula
- C19H37ClO2
- SMILES
- CCCCCCCCCCCCCCCCOC(=O)C(C)Cl
- Molecular Weight1
- 332.95
- CAS
- 86711-81-1
- Other Names
-
- Propanoic acid, 2-chloro, hexadecyl ester
- Hexadecyl 2-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° | -139.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -701.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.04 | kJ/mol | Joback Calculated Property |
| log10WS | -6.90 | Crippen Calculated Property | |
| logPoct/wat | 6.638 | Crippen Calculated Property | |
| McVol | 298.250 | ml/mol | McGowan Calculated Property |
| Pc | 1092.82 | kPa | Joback Calculated Property |
| Inp | [2223.00; 2243.30] |
|
|
| Inp | 2223.00 | NIST | |
| Inp | 2231.00 | NIST | |
| Inp | 2233.00 | NIST | |
| Inp | 2239.00 | NIST | |
| Inp | 2237.00 | NIST | |
| Inp | 2234.00 | NIST | |
| Inp | 2243.30 | NIST | |
| I | [2612.00; 2650.00] |
|
|
| I | 2612.00 | NIST | |
| I | 2627.00 | NIST | |
| I | 2640.00 | NIST | |
| I | 2650.00 | NIST | |
| Tboil | 747.40 | K | Joback Calculated Property |
| Tc | 924.01 | K | Joback Calculated Property |
| Tfus | 390.97 | K | Joback Calculated Property |
| Vc | 1.167 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [884.74; 982.84] | J/mol×K | [747.40; 924.01] |
|
| Cp,gas | 884.74 | J/mol×K | 747.40 | Joback Calculated Property |
| Cp,gas | 903.32 | J/mol×K | 776.83 | Joback Calculated Property |
| Cp,gas | 920.97 | J/mol×K | 806.27 | Joback Calculated Property |
| Cp,gas | 937.72 | J/mol×K | 835.70 | Joback Calculated Property |
| Cp,gas | 953.60 | J/mol×K | 865.14 | Joback Calculated Property |
| Cp,gas | 968.63 | J/mol×K | 894.57 | Joback Calculated Property |
| Cp,gas | 982.84 | J/mol×K | 924.01 | Joback Calculated Property |
| η | [0.0000678; 0.0017764] | Pa×s | [390.97; 747.40] |
|
| η | 0.0017764 | Pa×s | 390.97 | Joback Calculated Property |
| η | 0.0007200 | Pa×s | 450.38 | Joback Calculated Property |
| η | 0.0003602 | Pa×s | 509.78 | Joback Calculated Property |
| η | 0.0002082 | Pa×s | 569.18 | Joback Calculated Property |
| η | 0.0001335 | Pa×s | 628.59 | Joback Calculated Property |
| η | 0.0000924 | Pa×s | 687.99 | Joback Calculated Property |
| η | 0.0000678 | Pa×s | 747.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2- Chloropropionic acid, hexadecyl ester.
Sources
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