- InChI
- InChI=1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3
- InChI Key
- RMZIOVJHUJAAEY-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- C=CCOC(=O)CCC
- Molecular Weight1
- 128.17
- CAS
- 2051-78-7
- Other Names
-
- 2-Propenyl butanoate
- Allyl butanoate
- Allyl butyrate
- Allyl n-butyrate
- Allylester kyseliny maselne
- Butyric acid, allyl ester
- Vinyl carbinyl butyrate
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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° | -138.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -307.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.66 | kJ/mol | Joback Calculated Property |
| log10WS | -1.47 | Crippen Calculated Property | |
| logPoct/wat | 1.516 | Crippen Calculated Property | |
| McVol | 112.630 | ml/mol | McGowan Calculated Property |
| Pc | 3079.57 | kPa | Joback Calculated Property |
| Inp | [851.00; 894.00] |
|
|
| Inp | 884.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | 894.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 866.00 | NIST | |
| Inp | 865.00 | NIST | |
| Inp | 883.00 | NIST | |
| Inp | 867.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 853.00 | NIST | |
| I | [1180.00; 1227.00] |
|
|
| I | 1198.00 | NIST | |
| I | 1227.00 | NIST | |
| I | 1180.00 | NIST | |
| I | 1185.00 | NIST | |
| Tboil | 432.53 | K | Joback Calculated Property |
| Tc | 612.55 | K | Joback Calculated Property |
| Tfus | 239.05 | K | Joback Calculated Property |
| Vc | 0.432 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.85; 279.98] | J/mol×K | [432.53; 612.55] |
|
| Cp,gas | 222.85 | J/mol×K | 432.53 | Joback Calculated Property |
| Cp,gas | 233.32 | J/mol×K | 462.53 | Joback Calculated Property |
| Cp,gas | 243.41 | J/mol×K | 492.54 | Joback Calculated Property |
| Cp,gas | 253.12 | J/mol×K | 522.54 | Joback Calculated Property |
| Cp,gas | 262.44 | J/mol×K | 552.54 | Joback Calculated Property |
| Cp,gas | 271.40 | J/mol×K | 582.54 | Joback Calculated Property |
| Cp,gas | 279.98 | J/mol×K | 612.55 | Joback Calculated Property |
| η | [0.0002641; 0.0028577] | Pa×s | [239.05; 432.53] |
|
| η | 0.0028577 | Pa×s | 239.05 | Joback Calculated Property |
| η | 0.0015177 | Pa×s | 271.30 | Joback Calculated Property |
| η | 0.0009221 | Pa×s | 303.54 | Joback Calculated Property |
| η | 0.0006165 | Pa×s | 335.79 | Joback Calculated Property |
| η | 0.0004423 | Pa×s | 368.04 | Joback Calculated Property |
| η | 0.0003347 | Pa×s | 400.28 | Joback Calculated Property |
| η | 0.0002641 | Pa×s | 432.53 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 317.70 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [312.82; 447.08] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49005e+01 | |||
| Coefficient B | -3.74467e+03 | |||
| Coefficient C | -5.65620e+01 | |||
| Temperature range, min. | 312.82 | |||
| Temperature range, max. | 447.08 | |||
| Pvap | 1.33 | kPa | 312.82 | Calculated Property |
| Pvap | 2.98 | kPa | 327.74 | Calculated Property |
| Pvap | 6.12 | kPa | 342.66 | Calculated Property |
| Pvap | 11.71 | kPa | 357.57 | Calculated Property |
| Pvap | 21.06 | kPa | 372.49 | Calculated Property |
| Pvap | 35.95 | kPa | 387.41 | Calculated Property |
| Pvap | 58.58 | kPa | 402.33 | Calculated Property |
| Pvap | 91.68 | kPa | 417.24 | Calculated Property |
| Pvap | 138.47 | kPa | 432.16 | Calculated Property |
| Pvap | 202.66 | kPa | 447.08 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-propenyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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