- InChI
- InChI=1S/C18H35ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3
- InChI Key
- WTBAHSZERDXKKZ-UHFFFAOYSA-N
- Formula
- C18H35ClO
- SMILES
- CCCCCCCCCCCCCCCCCC(=O)Cl
- Molecular Weight1
- 302.92
- CAS
- 112-76-5
- Other Names
-
- Octadecanoyl-chloride-
- Stearoyl 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.8874 | Relay (1.0) Calculated Property | |
| ΔfG° | -40.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -589.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.013 | Crippen Calculated Property | |
| McVol | 278.290 | ml/mol | McGowan Calculated Property |
| Pc | 1172.83 | kPa | Joback Calculated Property |
| Tboil | 582.16 | K | Relay (1.0) Calculated Property |
| Tc | 775.71 | K | Relay (1.0) Calculated Property |
| Tfus | 296.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 1.084 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 449.20 | K | 0.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [401.66; 945.26] | 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 | 6.77600e+00 | |||
| Coefficient B | 1.69262e+00 | |||
| Coefficient C | -9.57100e-04 | |||
| Coefficient D | 2.02960e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 401.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 494.78 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 578.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 652.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 718.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 776.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 828.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 872.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 911.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 945.26 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0125956; 0.0001840] | Pa×s | [296.15; 612.60] |
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 | -1.25555e+01 | |||
| Coefficient B | 2.42283e+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. | 296.15 | |||
| Temperature range, max. | 612.60 | |||
| η | 0.0125956 | Pa×s | 296.15 | Calculated Property |
| η | 0.0052863 | Pa×s | 331.31 | Calculated Property |
| η | 0.0026208 | Pa×s | 366.47 | Calculated Property |
| η | 0.0014692 | Pa×s | 401.63 | Calculated Property |
| η | 0.0009040 | Pa×s | 436.79 | Calculated Property |
| η | 0.0005980 | Pa×s | 471.96 | Calculated Property |
| η | 0.0004189 | Pa×s | 507.12 | Calculated Property |
| η | 0.0003073 | Pa×s | 542.28 | Calculated Property |
| η | 0.0002341 | Pa×s | 577.44 | Calculated Property |
| η | 0.0001840 | Pa×s | 612.60 | Calculated Property |
Similar Compounds
Find more compounds similar to Stearic acid 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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