- InChI
- InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3
- InChI Key
- XRFWKHVQMACVTA-UHFFFAOYSA-N
- Formula
- C6H10O2
- SMILES
- C=CCOC(=O)CC
- Molecular Weight1
- 114.14
- Other Names
-
- Propionic acid, allyl ester
- C2H5C(O)OCH2CH=CH2
- Allyl n-propionate
- 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.
- Ip : 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 | 0.3837 | Relay (1.0) Calculated Property | |
| ΔfG° | -222.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.126 | Crippen Calculated Property | |
| McVol | 98.540 | ml/mol | McGowan Calculated Property |
| Pc | 3276.53 | kPa | Joback Calculated Property |
| Inp | [738.00; 818.00] |
|
|
| Inp | 777.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | Outlier 818.00 | NIST | |
| Inp | 796.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 738.00 | NIST | |
| Ip | [1128.00; 1167.00] |
|
|
| Ip | 1130.00 | NIST | |
| Ip | 1167.00 | NIST | |
| Ip | 1128.00 | NIST | |
| Ip | 1130.00 | NIST | |
| Tboil | 395.08 | K | Relay (1.0) Calculated Property |
| Tc | 580.49 | K | Relay (1.0) Calculated Property |
| Tfus | 181.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.359 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [139.29; 308.47] | 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 | 1.98520e+01 | |||
| Coefficient B | 4.99020e-01 | |||
| Coefficient C | -2.30900e-04 | |||
| Coefficient D | 2.05000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 139.29 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 168.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 194.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 218.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 239.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 258.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 274.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 288.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 299.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 308.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0051611; 0.0002445] | Pa×s | [197.95; 398.37] |
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 | -1.13285e+01 | |||
| Coefficient B | 1.19996e+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. | 197.95 | |||
| Temperature range, max. | 398.37 | |||
| η | 0.0051611 | Pa×s | 197.95 | Calculated Property |
| η | 0.0027959 | Pa×s | 220.22 | Calculated Property |
| η | 0.0016952 | Pa×s | 242.49 | Calculated Property |
| η | 0.0011180 | Pa×s | 264.76 | Calculated Property |
| η | 0.0007866 | Pa×s | 287.02 | Calculated Property |
| η | 0.0005821 | Pa×s | 309.29 | Calculated Property |
| η | 0.0004486 | Pa×s | 331.56 | Calculated Property |
| η | 0.0003572 | Pa×s | 353.83 | Calculated Property |
| η | 0.0002922 | Pa×s | 376.10 | Calculated Property |
| η | 0.0002445 | Pa×s | 398.37 | Calculated Property |
Similar Compounds
Find more compounds similar to Allyl propionate.
Sources
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