- InChI
- InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3
- InChI Key
- UIWXSTHGICQLQT-UHFFFAOYSA-N
- Formula
- C5H8O2
- SMILES
- C=COC(=O)CC
- Molecular Weight1
- 100.12
- CAS
- 105-38-4
- Other Names
-
- Propionic acid, vinyl ester
- Vinylester kyseliny propionove
- vinyl propanoate
- vinyl 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- NFPA Safety : NFPA Safety Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- 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 | 0.3691 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ΔfG° | -231.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -332.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.083 | Crippen Calculated Property | |
| McVol | 84.450 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 3 | KDB | |
| NFPA Health | 2 | KDB | |
| NFPA Safety | 2 | KDB | |
| Pc | 3680.12 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Inp | [648.00; 669.00] |
|
|
| Inp | 648.00 | NIST | |
| Inp | 648.00 | NIST | |
| Inp | 669.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 648.00 | NIST | |
| Inp | 669.00 | NIST | |
| Ip | [960.00; 960.00] |
|
|
| Ip | 960.00 | NIST | |
| Ip | 960.00 | NIST | |
| Tboil | 365.60 | K | Relay (1.0) Calculated Property |
| Tc | 546.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tfus | [192.07; 193.15] | K |
|
| Tfus | 193.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 192.07 ± 0.60 | K | NIST |
| Vc | 0.323 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 36.70 | kJ/mol | 344.50 | NIST |
| n0 | [1.40153; 1.40200] | [298.15; 298.20] |
|
|
| n0 | 1.40153 | 298.15 | Density, Refractive Index, Speed of Sound, and Vapor-Liquid Equilibria for Binary Mixtures of Methanol + Vinyl Propionate and Vinyl Acetate + Vinyl Propionate. Vapor Pressures of Vinyl Propionate | |
| n0 | 1.40200 | 298.20 | Ternary liquid liquid equilibria for mixtures of an ionic liquid + n-hexane + an organic compound involved in the kinetic resolution of rac-1-phenyl ethanol (rac-1-phenyl ethanol, vinyl propionate, rac-1-phenylethyl propionate or propionic acid) at 298.2K and atmospheric pressure |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [118.08; 256.88] | 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 | 2.07610e+01 | |||
| Coefficient B | 4.04020e-01 | |||
| Coefficient C | -1.76500e-04 | |||
| Coefficient D | 8.60000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 118.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 141.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 163.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 183.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 200.70 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 216.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 229.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 240.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 249.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 256.88 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0040077; 0.0002323] | Pa×s | [192.61; 382.20] |
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 | -1.12607e+01 | |||
| Coefficient B | 1.10580e+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. | 192.61 | |||
| Temperature range, max. | 382.20 | |||
| η | 0.0040077 | Pa×s | 192.61 | Calculated Property |
| η | 0.0022756 | Pa×s | 213.68 | Calculated Property |
| η | 0.0014302 | Pa×s | 234.74 | Calculated Property |
| η | 0.0009703 | Pa×s | 255.81 | Calculated Property |
| η | 0.0006984 | Pa×s | 276.87 | Calculated Property |
| η | 0.0005266 | Pa×s | 297.94 | Calculated Property |
| η | 0.0004121 | Pa×s | 319.00 | Calculated Property |
| η | 0.0003325 | Pa×s | 340.07 | Calculated Property |
| η | 0.0002750 | Pa×s | 361.13 | Calculated Property |
| η | 0.0002323 | Pa×s | 382.20 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [279.61; 394.79] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.30096e+01 | |||
| Coefficient B | -2.24538e+03 | |||
| Coefficient C | -1.03115e+02 | |||
| Temperature range, min. | 279.61 | |||
| Temperature range, max. | 394.79 | |||
| Pvap | 1.33 | kPa | 279.61 | Calculated Property |
| Pvap | 3.15 | kPa | 292.41 | Calculated Property |
| Pvap | 6.68 | kPa | 305.21 | Calculated Property |
| Pvap | 12.94 | kPa | 318.00 | Calculated Property |
| Pvap | 23.29 | kPa | 330.80 | Calculated Property |
| Pvap | 39.36 | kPa | 343.60 | Calculated Property |
| Pvap | 63.08 | kPa | 356.40 | Calculated Property |
| Pvap | 96.63 | kPa | 369.19 | Calculated Property |
| Pvap | 142.32 | kPa | 381.99 | Calculated Property |
| Pvap | 202.63 | kPa | 394.79 | Calculated Property |
| Pvap | [4.42; 3589.76] | kPa | [293.15; 546.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 7.69744e+01 | |||
| Coefficient B | -7.22230e+03 | |||
| Coefficient C | -9.01552e+00 | |||
| Coefficient D | 4.22805e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 293.15 | |||
| Temperature range, max. | 546.00 | |||
| Pvap | 4.42 | kPa | 293.15 | Calculated Property |
| Pvap | 17.98 | kPa | 321.24 | Calculated Property |
| Pvap | 55.75 | kPa | 349.34 | Calculated Property |
| Pvap | 141.01 | kPa | 377.43 | Calculated Property |
| Pvap | 304.97 | kPa | 405.53 | Calculated Property |
| Pvap | 583.99 | kPa | 433.62 | Calculated Property |
| Pvap | 1016.10 | kPa | 461.72 | Calculated Property |
| Pvap | 1638.32 | kPa | 489.81 | Calculated Property |
| Pvap | 2485.35 | kPa | 517.91 | Calculated Property |
| Pvap | 3589.76 | kPa | 546.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, ethenyl ester.
Mixtures
- Methyl Alcohol + Propanoic acid, ethenyl ester
- Acetic acid ethenyl ester + Propanoic acid, ethenyl ester
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Ternary liquid liquid equilibria for mixtures of an ionic liquid + n-hexane + an organic compound involved in the kinetic resolution of rac-1-phenyl ethanol (rac-1-phenyl ethanol, vinyl propionate, rac-1-phenylethyl propionate or propionic acid) at 298.2K and atmospheric pressure
- Density, Refractive Index, Speed of Sound, and Vapor-Liquid Equilibria for Binary Mixtures of Methanol + Vinyl Propionate and Vinyl Acetate + Vinyl Propionate. Vapor Pressures of Vinyl Propionate
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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