- InChI
- InChI=1S/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(25)26-23-4-2/h4H,2-3,5-23H2,1H3
- InChI Key
- VMAYYPRDLBOBIR-UHFFFAOYSA-N
- Formula
- C24H46O2
- SMILES
- C=CCOC(=O)CCCCCCCCCCCCCCCCCCCC
- Molecular Weight1
- 366.62
- 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 | 1.0719 | Relay (1.0) Calculated Property | |
| ΔfG° | -71.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -747.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.147 | Crippen Calculated Property | |
| McVol | 352.160 | ml/mol | McGowan Calculated Property |
| Pc | 828.11 | kPa | Joback Calculated Property |
| Inp | [2549.00; 2549.00] |
|
|
| Inp | 2549.00 | NIST | |
| Inp | 2549.00 | NIST | |
| Tboil | 641.12 | K | Relay (1.0) Calculated Property |
| Tc | 813.36 | K | Relay (1.0) Calculated Property |
| Tfus | 298.47 | K | Relay (1.0) Calculated Property |
| Vc | 1.353 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.14; 1237.11] | 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 | 3.49000e+00 | |||
| Coefficient B | 2.20902e+00 | |||
| Coefficient C | -1.21010e-03 | |||
| Coefficient D | 2.34700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 521.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 643.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 754.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 852.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 940.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1017.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1084.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1143.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1193.87 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1237.11 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014719; 0.0000718] | Pa×s | [400.81; 688.98] |
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 | -1.37436e+01 | |||
| Coefficient B | 2.89484e+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. | 400.81 | |||
| Temperature range, max. | 688.98 | |||
| η | 0.0014719 | Pa×s | 400.81 | Calculated Property |
| η | 0.0008627 | Pa×s | 432.83 | Calculated Property |
| η | 0.0005442 | Pa×s | 464.85 | Calculated Property |
| η | 0.0003643 | Pa×s | 496.87 | Calculated Property |
| η | 0.0002560 | Pa×s | 528.88 | Calculated Property |
| η | 0.0001873 | Pa×s | 560.90 | Calculated Property |
| η | 0.0001418 | Pa×s | 592.92 | Calculated Property |
| η | 0.0001104 | Pa×s | 624.94 | Calculated Property |
| η | 0.0000881 | Pa×s | 656.96 | Calculated Property |
| η | 0.0000718 | Pa×s | 688.98 | Calculated Property |
Similar Compounds
Find more compounds similar to Allyl heneicosanoate.
Sources
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