- 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° | -32.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -371.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.70 | 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 | 2407.64 | 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 | 661.39 | K | Relay (1.0) Calculated Property |
| Tfus | 203.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.530 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.46; 403.24] | J/mol×K | [505.33; 688.59] |
|
| Cp,gas | 332.46 | J/mol×K | 505.33 | Joback Calculated Property |
| Cp,gas | 345.70 | J/mol×K | 535.87 | Joback Calculated Property |
| Cp,gas | 358.33 | J/mol×K | 566.42 | Joback Calculated Property |
| Cp,gas | 370.39 | J/mol×K | 596.96 | Joback Calculated Property |
| Cp,gas | 381.88 | J/mol×K | 627.50 | Joback Calculated Property |
| Cp,gas | 392.82 | J/mol×K | 658.05 | Joback Calculated Property |
| Cp,gas | 403.24 | J/mol×K | 688.59 | Joback Calculated Property |
| η | [0.0001912; 0.0028123] | Pa×s | [267.78; 505.33] |
|
| η | 0.0028123 | Pa×s | 267.78 | Joback Calculated Property |
| η | 0.0013463 | Pa×s | 307.37 | Joback Calculated Property |
| η | 0.0007625 | Pa×s | 346.96 | Joback Calculated Property |
| η | 0.0004852 | Pa×s | 386.55 | Joback Calculated Property |
| η | 0.0003358 | Pa×s | 426.15 | Joback Calculated Property |
| η | 0.0002474 | Pa×s | 465.74 | Joback Calculated Property |
| η | 0.0001912 | Pa×s | 505.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Allyl 2-heptenoate.
Sources
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