- InChI
- InChI=1S/C17H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16-4-2/h4H,2-3,5-16H2,1H3
- InChI Key
- FFXFQWSEFSLIKK-UHFFFAOYSA-N
- Formula
- C17H32O2
- SMILES
- C=CCOC(=O)CCCCCCCCCCCCC
- Molecular Weight1
- 268.44
- 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.
- 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 | 0.8264 | Relay (1.0) Calculated Property | |
| ΔfG° | -130.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -599.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.417 | Crippen Calculated Property | |
| McVol | 253.530 | ml/mol | McGowan Calculated Property |
| Pc | 1272.78 | kPa | Joback Calculated Property |
| Inp | [1852.00; 1852.00] |
|
|
| Inp | 1852.00 | NIST | |
| Inp | 1852.00 | NIST | |
| Tboil | 583.42 | K | Relay (1.0) Calculated Property |
| Tc | 757.20 | K | Relay (1.0) Calculated Property |
| Tfus | 266.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.960 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.64; 875.97] | 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 | 9.85300e+00 | |||
| Coefficient B | 1.54402e+00 | |||
| Coefficient C | -8.29300e-04 | |||
| Coefficient D | 1.51400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 372.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 459.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 536.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 606.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 667.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 721.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 769.49 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 810.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 846.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 875.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032882; 0.0001632] | Pa×s | [321.92; 567.15] |
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 | -1.26624e+01 | |||
| Coefficient B | 2.23572e+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. | 321.92 | |||
| Temperature range, max. | 567.15 | |||
| η | 0.0032882 | Pa×s | 321.92 | Calculated Property |
| η | 0.0019124 | Pa×s | 349.17 | Calculated Property |
| η | 0.0012031 | Pa×s | 376.42 | Calculated Property |
| η | 0.0008057 | Pa×s | 403.66 | Calculated Property |
| η | 0.0005676 | Pa×s | 430.91 | Calculated Property |
| η | 0.0004169 | Pa×s | 458.16 | Calculated Property |
| η | 0.0003170 | Pa×s | 485.41 | Calculated Property |
| η | 0.0002482 | Pa×s | 512.65 | Calculated Property |
| η | 0.0001992 | Pa×s | 539.90 | Calculated Property |
| η | 0.0001632 | Pa×s | 567.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Allyl myristate.
Sources
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