- InChI
- InChI=1S/C19H37ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-19(21)16-17-20/h2-18H2,1H3
- InChI Key
- HKMCSNOMIKTPRU-UHFFFAOYSA-N
- Formula
- C19H37ClO2
- SMILES
- CCCCCCCCCCCCCCCCOC(=O)CCCl
- Molecular Weight1
- 332.95
- CAS
- 53312-70-2
- Other Names
-
- Propanoic acid, 3-chloro, hexadecyl ester
- Hexadecyl 3-chloropropanoate
- 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 | 0.9777 | Relay (1.0) Calculated Property | |
| ΔfG° | -136.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -781.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.640 | Crippen Calculated Property | |
| McVol | 298.250 | ml/mol | McGowan Calculated Property |
| Pc | 1087.06 | kPa | Joback Calculated Property |
| Inp | [2298.00; 2312.00] |
|
|
| Inp | 2305.00 | NIST | |
| Inp | 2302.00 | NIST | |
| Inp | 2298.00 | NIST | |
| Inp | 2312.00 | NIST | |
| Inp | 2311.00 | NIST | |
| Inp | 2306.00 | NIST | |
| I | [2786.00; 2814.00] |
|
|
| I | 2786.00 | NIST | |
| I | 2804.00 | NIST | |
| I | 2814.00 | NIST | |
| Tboil | 603.58 | K | Relay (1.0) Calculated Property |
| Tc | 796.76 | K | Relay (1.0) Calculated Property |
| Tfus | 301.03 | K | Relay (1.0) Calculated Property |
| Vc | 1.149 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [884.28; 981.77] | J/mol×K | [747.84; 923.13] |
|
| Cp,gas | 884.28 | J/mol×K | 747.84 | Joback Calculated Property |
| Cp,gas | 902.70 | J/mol×K | 777.05 | Joback Calculated Property |
| Cp,gas | 920.22 | J/mol×K | 806.27 | Joback Calculated Property |
| Cp,gas | 936.86 | J/mol×K | 835.48 | Joback Calculated Property |
| Cp,gas | 952.65 | J/mol×K | 864.70 | Joback Calculated Property |
| Cp,gas | 967.61 | J/mol×K | 893.91 | Joback Calculated Property |
| Cp,gas | 981.77 | J/mol×K | 923.13 | Joback Calculated Property |
| η | [0.0000736; 0.0014368] | Pa×s | [405.97; 747.84] |
|
| η | 0.0014368 | Pa×s | 405.97 | Joback Calculated Property |
| η | 0.0006456 | Pa×s | 462.95 | Joback Calculated Property |
| η | 0.0003456 | Pa×s | 519.93 | Joback Calculated Property |
| η | 0.0002094 | Pa×s | 576.90 | Joback Calculated Property |
| η | 0.0001388 | Pa×s | 633.88 | Joback Calculated Property |
| η | 0.0000984 | Pa×s | 690.86 | Joback Calculated Property |
| η | 0.0000736 | Pa×s | 747.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloropropionic acid, hexadecyl ester.
Sources
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