- InChI
- InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3
- InChI Key
- FWZUNOYOVVKUNF-UHFFFAOYSA-N
- Formula
- C5H8O2
- SMILES
- C=CCOC(C)=O
- Molecular Weight1
- 100.12
- CAS
- 591-87-7
- Other Names
-
- 2-Propenyl acetate
- 2-Propenyl ester of acetic acid
- 2-Propenyl ethanoate
- 3-Acetoxy-1-propene
- 3-Acetoxypropene
- Acetic acid, 2-propen-1-yl ester
- Acetic acid, 2-propenyl ester
- Acetic acid, allyl ester
- CH2=C(CH3)OC(=O)CH3
- NSC 7612
- UN 2333
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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 |
|---|---|---|---|
| ΔfG° | -154.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -265.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.21 | kJ/mol | Joback Calculated Property |
| IE | [9.74; 9.81] | eV |
|
| IE | 9.80 | eV | NIST |
| IE | 9.81 | eV | NIST |
| IE | 9.74 ± 0.05 | eV | NIST |
| log10WS | -0.63 | Crippen Calculated Property | |
| logPoct/wat | 0.735 | Crippen Calculated Property | |
| McVol | 84.450 | ml/mol | McGowan Calculated Property |
| Pc | 3857.88 | kPa | Joback Calculated Property |
| Inp | [656.00; 681.00] |
|
|
| Inp | 670.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 658.00 | NIST | |
| Inp | 681.00 | NIST | |
| Inp | 675.00 | NIST | |
| Inp | 675.00 | NIST | |
| Inp | 656.00 | NIST | |
| Inp | 670.00 | NIST | |
| Inp | 670.00 | NIST | |
| I | [1010.00; 1025.00] |
|
|
| I | 1023.00 | NIST | |
| I | 1014.00 | NIST | |
| I | 1010.00 | NIST | |
| I | 1010.00 | NIST | |
| I | 1025.00 | NIST | |
| I | 1010.00 | NIST | |
| I | 1023.00 | NIST | |
| Tboil | [376.70; 378.00] | K |
|
| Tboil | 376.70 | K | NIST |
| Tboil | 378.00 | K | NIST |
| Tboil | 377.70 ± 1.00 | K | NIST |
| Tc | 569.17 | K | Joback Calculated Property |
| Tfus | 216.51 | K | Joback Calculated Property |
| Vc | 0.321 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.35; 191.98] | J/mol×K | [386.77; 569.17] |
|
| Cp,gas | 149.35 | J/mol×K | 386.77 | Joback Calculated Property |
| Cp,gas | 157.10 | J/mol×K | 417.17 | Joback Calculated Property |
| Cp,gas | 164.59 | J/mol×K | 447.57 | Joback Calculated Property |
| Cp,gas | 171.82 | J/mol×K | 477.97 | Joback Calculated Property |
| Cp,gas | 178.80 | J/mol×K | 508.37 | Joback Calculated Property |
| Cp,gas | 185.52 | J/mol×K | 538.77 | Joback Calculated Property |
| Cp,gas | 191.98 | J/mol×K | 569.17 | Joback Calculated Property |
| Cp,liquid | 184.10 | J/mol×K | 298.00 | NIST |
| η | [0.0002673; 0.0024241] | Pa×s | [216.51; 386.77] |
|
| η | 0.0024241 | Pa×s | 216.51 | Joback Calculated Property |
| η | 0.0013568 | Pa×s | 244.89 | Joback Calculated Property |
| η | 0.0008567 | Pa×s | 273.26 | Joback Calculated Property |
| η | 0.0005898 | Pa×s | 301.64 | Joback Calculated Property |
| η | 0.0004330 | Pa×s | 330.02 | Joback Calculated Property |
| η | 0.0003338 | Pa×s | 358.39 | Joback Calculated Property |
| η | 0.0002673 | Pa×s | 386.77 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.90e-08; 3807.71] | kPa | [138.00; 559.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.11072e+01 | |||
| Coefficient B | -6.21372e+03 | |||
| Coefficient C | -6.89444e+00 | |||
| Coefficient D | 5.98005e-06 | |||
| Temperature range, min. | 138.00 | |||
| Temperature range, max. | 559.00 | |||
| Pvap | 1.90e-08 | kPa | 138.00 | Calculated Property |
| Pvap | 2.49e-04 | kPa | 184.78 | Calculated Property |
| Pvap | 0.05 | kPa | 231.56 | Calculated Property |
| Pvap | 1.55 | kPa | 278.33 | Calculated Property |
| Pvap | 15.61 | kPa | 325.11 | Calculated Property |
| Pvap | 83.12 | kPa | 371.89 | Calculated Property |
| Pvap | 296.31 | kPa | 418.67 | Calculated Property |
| Pvap | 812.49 | kPa | 465.44 | Calculated Property |
| Pvap | 1867.79 | kPa | 512.22 | Calculated Property |
| Pvap | 3807.71 | kPa | 559.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Allyl acetate.
Sources
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