- InChI
- InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h3H,1,4-6H2,2H3
- InChI Key
- IVOGAUVYWHQIBD-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- C=CCCOC(=O)CC
- Molecular Weight1
- 128.17
- CAS
- 27819-06-3
- Other Names
-
- 3-Butenyl propionate
- Propanoic acid, 3-butenyl ester
- 3-Butenyl propanoate
- 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).
- 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° | -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 | [855.00; 894.00] |
|
|
| Inp | 864.00 | NIST | |
| Inp | 855.00 | NIST | |
| Inp | 877.00 | NIST | |
| Inp | 894.00 | NIST | |
| Inp | 889.00 | NIST | |
| I | [1200.00; 1230.00] |
|
|
| I | 1203.00 | NIST | |
| I | 1230.00 | NIST | |
| I | 1200.00 | 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 |
Similar Compounds
Find more compounds similar to 3-Buten-1-ol, propanoate.
Sources
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