- InChI
- InChI=1S/C10H16O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4,7-8H,2-3,5-6,9H2,1H3/b8-7+
- InChI Key
- VHJIZSCKFCIYGY-BQYQJAHWSA-N
- Formula
- C10H16O2
- SMILES
- C=CCOC(=O)C=CCCCC
- Molecular Weight1
- 168.23
- 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.
- I : 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 | 0.5079 | Relay (1.0) Calculated Property | |
| ΔfG° | -108.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -371.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.462 | Crippen Calculated Property | |
| McVol | 150.600 | ml/mol | McGowan Calculated Property |
| Pc | 2313.61 | kPa | Joback Calculated Property |
| Inp | [1164.00; 1164.00] |
|
|
| Inp | 1164.00 | NIST | |
| Inp | 1164.00 | NIST | |
| I | [1454.00; 1454.00] |
|
|
| I | 1454.00 | NIST | |
| I | 1454.00 | NIST | |
| Tboil | 467.92 | K | Relay (1.0) Calculated Property |
| Tc | 665.31 | K | Relay (1.0) Calculated Property |
| Tfus | 202.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.534 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.14; 484.25] | 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 | 2.03400e+00 | |||
| Coefficient B | 8.99020e-01 | |||
| Coefficient C | -5.32300e-04 | |||
| Coefficient D | 1.15500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 210.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 258.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 301.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 339.77 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 373.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 402.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 427.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 449.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 468.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 484.25 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0050080; 0.0002033] | Pa×s | [237.95; 467.45] |
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 | -1.18226e+01 | |||
| Coefficient B | 1.55284e+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. | 237.95 | |||
| Temperature range, max. | 467.45 | |||
| η | 0.0050080 | Pa×s | 237.95 | Calculated Property |
| η | 0.0026628 | Pa×s | 263.45 | Calculated Property |
| η | 0.0015828 | Pa×s | 288.95 | Calculated Property |
| η | 0.0010236 | Pa×s | 314.45 | Calculated Property |
| η | 0.0007068 | Pa×s | 339.95 | Calculated Property |
| η | 0.0005139 | Pa×s | 365.45 | Calculated Property |
| η | 0.0003895 | Pa×s | 390.95 | Calculated Property |
| η | 0.0003054 | Pa×s | 416.45 | Calculated Property |
| η | 0.0002463 | Pa×s | 441.95 | Calculated Property |
| η | 0.0002033 | Pa×s | 467.45 | Calculated Property |
Similar Compounds
Find more compounds similar to Allyl 2-heptenoate.
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