- InChI
- InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h3-20H2,1-2H3
- InChI Key
- BTAXGNQLYFDKEF-UHFFFAOYSA-N
- Formula
- C21H42O2
- SMILES
- CCCCCCCCCCCCCCCCCC(=O)OCCC
- Molecular Weight1
- 326.56
- CAS
- 3634-92-2
- Other Names
-
- Propyl octadecanoate
- Propyl stearate
- Stearic acid, propyl ester
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-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 | 1.0081 | Relay (1.0) Calculated Property | |
| ΔfG° | -107.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -795.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.201 | Crippen Calculated Property | |
| McVol | 314.190 | ml/mol | McGowan Calculated Property |
| Pc | 983.93 | kPa | Joback Calculated Property |
| Inp | [2273.00; 2296.00] |
|
|
| Inp | 2294.00 | NIST | |
| Inp | 2296.00 | NIST | |
| Inp | 2294.00 | NIST | |
| Inp | 2273.00 | NIST | |
| Inp | 2296.00 | NIST | |
| Inp | 2273.00 | NIST | |
| Tboil | 600.85 | K | Relay (1.0) Calculated Property |
| Tc | 780.19 | K | Relay (1.0) Calculated Property |
| Tfus | 302.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.239 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [969.32; 1075.99] | J/mol×K | [756.17; 929.77] |
|
| Cp,gas | 969.32 | J/mol×K | 756.17 | Joback Calculated Property |
| Cp,gas | 989.43 | J/mol×K | 785.10 | Joback Calculated Property |
| Cp,gas | 1008.57 | J/mol×K | 814.04 | Joback Calculated Property |
| Cp,gas | 1026.77 | J/mol×K | 842.97 | Joback Calculated Property |
| Cp,gas | 1044.06 | J/mol×K | 871.90 | Joback Calculated Property |
| Cp,gas | 1060.46 | J/mol×K | 900.83 | Joback Calculated Property |
| Cp,gas | 1075.99 | J/mol×K | 929.77 | Joback Calculated Property |
| η | [0.0000640; 0.0014949] | Pa×s | [398.59; 756.17] |
|
| η | 0.0014949 | Pa×s | 398.59 | Joback Calculated Property |
| η | 0.0006283 | Pa×s | 458.19 | Joback Calculated Property |
| η | 0.0003224 | Pa×s | 517.78 | Joback Calculated Property |
| η | 0.0001899 | Pa×s | 577.38 | Joback Calculated Property |
| η | 0.0001235 | Pa×s | 636.98 | Joback Calculated Property |
| η | 0.0000864 | Pa×s | 696.57 | Joback Calculated Property |
| η | 0.0000640 | Pa×s | 756.17 | Joback Calculated Property |
| ΔvapH | 87.90 | kJ/mol | 470.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [533.80; 673.84] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.96437e+01 | |||
| Coefficient B | -7.73294e+03 | |||
| Coefficient C | -1.34290e+02 | |||
| Temperature range, min. | 533.80 | |||
| Temperature range, max. | 673.84 | |||
| Pvap | 1.33 | kPa | 533.80 | Calculated Property |
| Pvap | 2.75 | kPa | 549.36 | Calculated Property |
| Pvap | 5.40 | kPa | 564.92 | Calculated Property |
| Pvap | 10.10 | kPa | 580.48 | Calculated Property |
| Pvap | 18.11 | kPa | 596.04 | Calculated Property |
| Pvap | 31.27 | kPa | 611.60 | Calculated Property |
| Pvap | 52.15 | kPa | 627.16 | Calculated Property |
| Pvap | 84.29 | kPa | 642.72 | Calculated Property |
| Pvap | 132.41 | kPa | 658.28 | Calculated Property |
| Pvap | 202.65 | kPa | 673.84 | Calculated Property |
Similar Compounds
Find more compounds similar to Octadecanoic acid, propyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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