- InChI
- InChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2/h3-16H2,1-2H3
- InChI Key
- YRZGMTHQPGNLEK-UHFFFAOYSA-N
- Formula
- C17H34O2
- SMILES
- CCCCCCCCCCCCCCOC(=O)CC
- Molecular Weight1
- 270.45
- CAS
- 6221-95-0
- Other Names
-
- 1-Tetradecanol, propanoate
- Tetradecyl propionate
- 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.
- Ip : 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 | 0.8658 | Relay (1.0) Calculated Property | |
| ΔfG° | -218.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -710.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.641 | Crippen Calculated Property | |
| McVol | 257.830 | ml/mol | McGowan Calculated Property |
| Pc | 1235.48 | kPa | Joback Calculated Property |
| Inp | [1873.00; 1888.00] |
|
|
| Inp | 1880.00 | NIST | |
| Inp | 1883.00 | NIST | |
| Inp | 1881.00 | NIST | |
| Inp | 1877.00 | NIST | |
| Inp | 1878.00 | NIST | |
| Inp | 1884.00 | NIST | |
| Inp | 1873.00 | NIST | |
| Inp | 1888.00 | NIST | |
| Inp | 1880.00 | NIST | |
| Inp | 1884.00 | NIST | |
| Inp | 1888.00 | NIST | |
| Ip | [2153.00; 2178.00] |
|
|
| Ip | 2153.00 | NIST | |
| Ip | 2154.00 | NIST | |
| Ip | 2165.00 | NIST | |
| Ip | 2165.00 | NIST | |
| Ip | 2177.00 | NIST | |
| Ip | 2178.00 | NIST | |
| Ip | 2153.00 | NIST | |
| Ip | 2178.00 | NIST | |
| Tboil | 567.76 | K | Relay (1.0) Calculated Property |
| Tc | 750.45 | K | Relay (1.0) Calculated Property |
| Tfus | 282.42 | K | Relay (1.0) Calculated Property |
| Vc | 1.017 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [382.45; 904.48] | 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 | 1.28440e+01 | |||
| Coefficient B | 1.56404e+00 | |||
| Coefficient C | -8.06400e-04 | |||
| Coefficient D | 1.34000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 382.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 471.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 551.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 623.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 687.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 743.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 793.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 836.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 873.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 904.48 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0034020; 0.0001596] | Pa×s | [323.68; 568.24] |
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 | -1.27919e+01 | |||
| Coefficient B | 2.30088e+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. | 323.68 | |||
| Temperature range, max. | 568.24 | |||
| η | 0.0034020 | Pa×s | 323.68 | Calculated Property |
| η | 0.0019617 | Pa×s | 350.85 | Calculated Property |
| η | 0.0012244 | Pa×s | 378.03 | Calculated Property |
| η | 0.0008140 | Pa×s | 405.20 | Calculated Property |
| η | 0.0005697 | Pa×s | 432.37 | Calculated Property |
| η | 0.0004159 | Pa×s | 459.54 | Calculated Property |
| η | 0.0003145 | Pa×s | 486.72 | Calculated Property |
| η | 0.0002449 | Pa×s | 513.89 | Calculated Property |
| η | 0.0001956 | Pa×s | 541.06 | Calculated Property |
| η | 0.0001596 | Pa×s | 568.24 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, tetradecyl ester.
Sources
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