- InChI
- InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3
- InChI Key
- HETCEOQFVDFGSY-UHFFFAOYSA-N
- Formula
- C5H8O2
- SMILES
- C=C(C)OC(C)=O
- Molecular Weight1
- 100.12
- CAS
- 108-22-5
- Other Names
-
- 1-Acetoxy-1-methylethylene
- 1-Methylvinyl acetate
- 1-Propen-2-ol, 2-acetate
- 1-Propen-2-yl acetate
- 1-methylvinyl ethanoate
- 2-Acetoxypropene
- 2-Acetoxypropylene
- Acetic acid 1-methylethenyl ester
- Acetic acid isopropenyl ester
- Methylvinyl acetate
- NSC 2197
- Propen-2-yl acetate
- UN 2403
- acetic acid, isopropenyl ester
- ethanoic acid, isopropenyl ester
- isopropenyl ethanoate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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).
- n0 : Refractive Index.
- Inp : Non-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 | 0.4103 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -387.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -386.20 ± 0.96 | kJ/mol | NIST |
| ΔfusH° | 8.90 | kJ/mol | Joback Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.083 | Crippen Calculated Property | |
| McVol | 84.450 | ml/mol | McGowan Calculated Property |
| Pc | 3881.95 | kPa | Joback Calculated Property |
| Inp | [608.00; 673.00] |
|
|
| Inp | 608.00 | NIST | |
| Inp | 609.00 | NIST | |
| Inp | 641.00 | NIST | |
| Inp | 644.00 | NIST | |
| Inp | 673.00 | NIST | |
| Tboil | [367.20; 370.85] | K |
|
| Tboil | 367.20 | K | NIST |
| Tboil | 370.00 | K | NIST |
| Tboil | 370.85 | K | NIST |
| Tboil | 370.00 ± 2.00 | K | NIST |
| Tc | 549.80 | K | DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development |
| Tfus | 180.25 | K | NIST |
| Vc | 0.318 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.36; 192.58] | J/mol×K | [386.65; 572.77] |
|
| Cp,gas | 149.36 | J/mol×K | 386.65 | Joback Calculated Property |
| Cp,gas | 157.23 | J/mol×K | 417.67 | Joback Calculated Property |
| Cp,gas | 164.83 | J/mol×K | 448.69 | Joback Calculated Property |
| Cp,gas | 172.17 | J/mol×K | 479.71 | Joback Calculated Property |
| Cp,gas | 179.24 | J/mol×K | 510.73 | Joback Calculated Property |
| Cp,gas | 186.04 | J/mol×K | 541.75 | Joback Calculated Property |
| Cp,gas | 192.58 | J/mol×K | 572.77 | Joback Calculated Property |
| n0 | [1.40290; 1.40330] | [293.15; 298.15] |
|
|
| n0 | 1.40330 | 293.15 | Isobaric Vapor-Liquid Equilibria for the Binary Systems of Acetic Acid + Isopropenyl Acetate, Acetic Acid + Acetylacetone, and Water + Acetylacetone | |
| n0 | 1.40290 | 298.15 | Isobaric Vapor Liquid Equilibria for Binary Systems of Acetone + Isopropenyl Acetate, 2-Butanone + Isopropenyl Acetate, and Isopropenyl Acetate + Acetylacetone at 101.3 kPa | |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [274.42; 389.37] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54161e+01 | |||
| Coefficient B | -3.49774e+03 | |||
| Coefficient C | -4.32180e+01 | |||
| Temperature range, min. | 274.42 | |||
| Temperature range, max. | 389.37 | |||
| Pvap | 1.33 | kPa | 274.42 | Calculated Property |
| Pvap | 2.94 | kPa | 287.19 | Calculated Property |
| Pvap | 6.01 | kPa | 299.96 | Calculated Property |
| Pvap | 11.45 | kPa | 312.74 | Calculated Property |
| Pvap | 20.61 | kPa | 325.51 | Calculated Property |
| Pvap | 35.23 | kPa | 338.28 | Calculated Property |
| Pvap | 57.61 | kPa | 351.05 | Calculated Property |
| Pvap | 90.59 | kPa | 363.83 | Calculated Property |
| Pvap | 137.60 | kPa | 376.60 | Calculated Property |
| Pvap | 202.64 | kPa | 389.37 | Calculated Property |
| Pvap | [26.66; 101.32] | kPa | [332.15; 370.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.62473e+01 | |||
| Coefficient B | -4.31771e+03 | |||
| Coefficient C | 6.24722e-03 | |||
| Coefficient D | -8.51795e-09 | |||
| Temperature range, min. | 332.15 | |||
| Temperature range, max. | 370.15 | |||
| Pvap | 26.66 | kPa | 332.15 | Calculated Property |
| Pvap | 31.39 | kPa | 336.37 | Calculated Property |
| Pvap | 36.81 | kPa | 340.59 | Calculated Property |
| Pvap | 42.99 | kPa | 344.82 | Calculated Property |
| Pvap | 50.03 | kPa | 349.04 | Calculated Property |
| Pvap | 58.00 | kPa | 353.26 | Calculated Property |
| Pvap | 67.01 | kPa | 357.48 | Calculated Property |
| Pvap | 77.16 | kPa | 361.71 | Calculated Property |
| Pvap | 88.56 | kPa | 365.93 | Calculated Property |
| Pvap | 101.32 | kPa | 370.15 | Calculated Property |
Similar Compounds
Find more compounds similar to ISOPROPENYL ACETATE.
Mixtures
- ISOPROPENYL ACETATE + Acetic acid + Water
- ISOPROPENYL ACETATE + Acetone
- 2-Butanone + ISOPROPENYL ACETATE
- ISOPROPENYL ACETATE + 2,4-Pentanedione
- ISOPROPENYL ACETATE + Acetic acid
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Liquid-liquid equilibrium for the ternary system isopropenyl acetate + water + acetic acid at 298.2 K, 313.2 K, 323.2 K and 333.2 K
- Isobaric vapor-liquid liquid equilibrium for isopropenyl acetate + water + acetic acid at 101 kPa
- DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
- Isobaric Vapor Liquid Equilibria for Binary Systems of Acetone + Isopropenyl Acetate, 2-Butanone + Isopropenyl Acetate, and Isopropenyl Acetate + Acetylacetone at 101.3 kPa
- Isobaric Vapor-Liquid Equilibria for the Binary Systems of Acetic Acid + Isopropenyl Acetate, Acetic Acid + Acetylacetone, and Water + Acetylacetone
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.