- InChI
- InChI=1S/C25H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(26)27-24-4-2/h4H,2-3,5-24H2,1H3
- InChI Key
- VNVRAKHWAVVIGF-UHFFFAOYSA-N
- Formula
- C25H48O2
- SMILES
-
C=CCOC(=O)CCCCCCCCCCCCCCCCCCCC
C - Molecular Weight1
- 380.65
- 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 | 1.1069 | Relay (1.0) Calculated Property | |
| ΔfG° | -62.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -768.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.537 | Crippen Calculated Property | |
| McVol | 366.250 | ml/mol | McGowan Calculated Property |
| Pc | 784.19 | kPa | Joback Calculated Property |
| Inp | [2654.00; 2654.00] |
|
|
| Inp | 2654.00 | NIST | |
| Inp | 2654.00 | NIST | |
| Tboil | 647.68 | K | Relay (1.0) Calculated Property |
| Tc | 820.20 | K | Relay (1.0) Calculated Property |
| Tfus | 301.21 | K | Relay (1.0) Calculated Property |
| Vc | 1.408 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [542.35; 1288.70] | 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 | 2.58100e+00 | |||
| Coefficient B | 2.30402e+00 | |||
| Coefficient C | -1.26450e-03 | |||
| Coefficient D | 2.46600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 542.35 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 670.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 785.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 887.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 978.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1059.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1129.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1190.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1243.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1288.70 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012919; 0.0000622] | Pa×s | [412.08; 708.31] |
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 | -1.39051e+01 | |||
| Coefficient B | 2.98900e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 412.08 | |||
| Temperature range, max. | 708.31 | |||
| η | 0.0012919 | Pa×s | 412.08 | Calculated Property |
| η | 0.0007555 | Pa×s | 444.99 | Calculated Property |
| η | 0.0004757 | Pa×s | 477.91 | Calculated Property |
| η | 0.0003179 | Pa×s | 510.82 | Calculated Property |
| η | 0.0002231 | Pa×s | 543.74 | Calculated Property |
| η | 0.0001630 | Pa×s | 576.65 | Calculated Property |
| η | 0.0001232 | Pa×s | 609.57 | Calculated Property |
| η | 0.0000958 | Pa×s | 642.48 | Calculated Property |
| η | 0.0000764 | Pa×s | 675.39 | Calculated Property |
| η | 0.0000622 | Pa×s | 708.31 | Calculated Property |
Similar Compounds
Find more compounds similar to Allyl behenoate.
Sources
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