- InChI
- InChI=1S/C23H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)25-22-4-2/h4H,2-3,5-22H2,1H3
- InChI Key
- FFJIQMXNDZSTQB-UHFFFAOYSA-N
- Formula
- C23H44O2
- SMILES
- C=CCOC(=O)CCCCCCCCCCCCCCCCCCC
- Molecular Weight1
- 352.60
- 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 | 1.0368 | Relay (1.0) Calculated Property | |
| ΔfG° | -79.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -727.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.757 | Crippen Calculated Property | |
| McVol | 338.070 | ml/mol | McGowan Calculated Property |
| Pc | 875.84 | kPa | Joback Calculated Property |
| Inp | 2450.00 | NIST | |
| Tboil | 634.45 | K | Relay (1.0) Calculated Property |
| Tc | 806.39 | K | Relay (1.0) Calculated Property |
| Tfus | 295.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.297 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [499.93; 1185.52] | 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 | 4.39900e+00 | |||
| Coefficient B | 2.11402e+00 | |||
| Coefficient C | -1.15570e-03 | |||
| Coefficient D | 2.22800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 499.93 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 617.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 723.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 817.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 901.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 974.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1039.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1095.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1144.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1185.52 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016716; 0.0000823] | Pa×s | [389.54; 670.21] |
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 | -1.35837e+01 | |||
| Coefficient B | 2.80068e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 389.54 | |||
| Temperature range, max. | 670.21 | |||
| η | 0.0016716 | Pa×s | 389.54 | Calculated Property |
| η | 0.0009811 | Pa×s | 420.73 | Calculated Property |
| η | 0.0006197 | Pa×s | 451.91 | Calculated Property |
| η | 0.0004154 | Pa×s | 483.10 | Calculated Property |
| η | 0.0002923 | Pa×s | 514.28 | Calculated Property |
| η | 0.0002141 | Pa×s | 545.47 | Calculated Property |
| η | 0.0001622 | Pa×s | 576.66 | Calculated Property |
| η | 0.0001264 | Pa×s | 607.84 | Calculated Property |
| η | 0.0001009 | Pa×s | 639.03 | Calculated Property |
| η | 0.0000823 | Pa×s | 670.21 | Calculated Property |
Similar Compounds
Find more compounds similar to Allyl arachidate.
Sources
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