- InChI
- InChI=1S/C16H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3
- InChI Key
- ARBOVOVUTSQWSS-UHFFFAOYSA-N
- Formula
- C16H31ClO
- SMILES
- CCCCCCCCCCCCCCCC(=O)Cl
- Molecular Weight1
- 274.88
- Other Names
-
- Hexadecanoyl-chloride-
- Palmitic acid chloride
- 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).
- 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 | 0.8170 | Relay (1.0) Calculated Property | |
| ΔfG° | -57.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -546.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.233 | Crippen Calculated Property | |
| McVol | 250.110 | ml/mol | McGowan Calculated Property |
| Pc | 1343.73 | kPa | Joback Calculated Property |
| Tboil | 567.85 | K | Relay (1.0) Calculated Property |
| Tc | 758.04 | K | Relay (1.0) Calculated Property |
| Tfus | 284.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.970 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [359.23; 842.07] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 8.59400e+00 | |||
| Coefficient B | 1.50262e+00 | |||
| Coefficient C | -8.48300e-04 | |||
| Coefficient D | 1.79160e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 359.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 441.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 516.08 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 582.18 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 640.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 692.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 738.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 777.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 812.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 842.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0122203; 0.0002242] | Pa×s | [284.65; 580.16] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.22547e+01 | |||
| Coefficient B | 2.23451e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 284.65 | |||
| Temperature range, max. | 580.16 | |||
| η | 0.0122203 | Pa×s | 284.65 | Calculated Property |
| η | 0.0054262 | Pa×s | 317.48 | Calculated Property |
| η | 0.0028055 | Pa×s | 350.32 | Calculated Property |
| η | 0.0016241 | Pa×s | 383.15 | Calculated Property |
| η | 0.0010250 | Pa×s | 415.99 | Calculated Property |
| η | 0.0006919 | Pa×s | 448.82 | Calculated Property |
| η | 0.0004928 | Pa×s | 481.66 | Calculated Property |
| η | 0.0003665 | Pa×s | 514.49 | Calculated Property |
| η | 0.0002824 | Pa×s | 547.33 | Calculated Property |
| η | 0.0002242 | Pa×s | 580.16 | Calculated Property |
Similar Compounds
Find more compounds similar to PALMITOYL CHLORIDE.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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