- InChI
- InChI=1S/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-10H2,1H3
- InChI Key
- PZGMUSDNQDCNAG-UHFFFAOYSA-N
- Formula
- C11H20O2
- SMILES
- C=CCOC(=O)CCCCCCC
- Molecular Weight1
- 184.28
- CAS
- 4230-97-1
- Other Names
-
- Allyl caprylate
- Allyl n-octanoate
- Allyl octanoate
- Octanoic acid, allyl ester
- 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).
- Pvap : Vapor 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 | 0.6078 | Relay (1.0) Calculated Property | |
| ΔfG° | -104.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -472.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.076 | Crippen Calculated Property | |
| McVol | 168.990 | ml/mol | McGowan Calculated Property |
| Pc | 2092.66 | kPa | Joback Calculated Property |
| Inp | [1257.00; 1265.00] |
|
|
| Inp | 1261.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1265.00 | NIST | |
| Inp | 1265.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1257.00 | NIST | |
| I | [1554.00; 1571.00] |
|
|
| I | 1571.00 | NIST | |
| I | 1559.00 | NIST | |
| I | 1566.00 | NIST | |
| I | 1554.00 | NIST | |
| Tboil | 491.27 | K | Relay (1.0) Calculated Property |
| Tc | 673.78 | K | Relay (1.0) Calculated Property |
| Tfus | 218.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.624 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.19; 474.25] | J/mol×K | [524.05; 698.08] |
|
| Cp,gas | 396.19 | J/mol×K | 524.05 | Joback Calculated Property |
| Cp,gas | 410.62 | J/mol×K | 553.05 | Joback Calculated Property |
| Cp,gas | 424.47 | J/mol×K | 582.06 | Joback Calculated Property |
| Cp,gas | 437.74 | J/mol×K | 611.06 | Joback Calculated Property |
| Cp,gas | 450.46 | J/mol×K | 640.07 | Joback Calculated Property |
| Cp,gas | 462.62 | J/mol×K | 669.07 | Joback Calculated Property |
| Cp,gas | 474.25 | J/mol×K | 698.08 | Joback Calculated Property |
| η | [0.0002102; 0.0029982] | Pa×s | [284.13; 524.05] |
|
| η | 0.0029982 | Pa×s | 284.13 | Joback Calculated Property |
| η | 0.0014650 | Pa×s | 324.12 | Joback Calculated Property |
| η | 0.0008378 | Pa×s | 364.10 | Joback Calculated Property |
| η | 0.0005351 | Pa×s | 404.09 | Joback Calculated Property |
| η | 0.0003706 | Pa×s | 444.08 | Joback Calculated Property |
| η | 0.0002727 | Pa×s | 484.06 | Joback Calculated Property |
| η | 0.0002102 | Pa×s | 524.05 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [379.22; 530.85] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.52377e+01 | |||
| Coefficient B | -4.47881e+03 | |||
| Coefficient C | -7.96360e+01 | |||
| Temperature range, min. | 379.22 | |||
| Temperature range, max. | 530.85 | |||
| Pvap | 1.33 | kPa | 379.22 | Calculated Property |
| Pvap | 2.96 | kPa | 396.07 | Calculated Property |
| Pvap | 6.04 | kPa | 412.92 | Calculated Property |
| Pvap | 11.54 | kPa | 429.76 | Calculated Property |
| Pvap | 20.76 | kPa | 446.61 | Calculated Property |
| Pvap | 35.47 | kPa | 463.46 | Calculated Property |
| Pvap | 57.94 | kPa | 480.31 | Calculated Property |
| Pvap | 90.96 | kPa | 497.15 | Calculated Property |
| Pvap | 137.90 | kPa | 514.00 | Calculated Property |
| Pvap | 202.66 | kPa | 530.85 | Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, 2-propenyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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