- 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
- Other Names
-
- 3-Butenyl propionate
- Propanoic acid, 3-butenyl ester
- 3-Butenyl propanoate
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4259 | Relay (1.0) Calculated Property | |
| ΔfG° | -214.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -383.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.516 | Crippen Calculated Property | |
| McVol | 112.630 | ml/mol | McGowan Calculated Property |
| Pc | 2944.08 | 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 | |
| I | 1203.00 | NIST | |
| Tboil | 414.81 | K | Relay (1.0) Calculated Property |
| Tc | 602.45 | K | Relay (1.0) Calculated Property |
| Tfus | 186.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.417 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.51; 277.05] | J/mol×K | [414.66; 591.01] |
|
| Cp,gas | 218.51 | J/mol×K | 414.66 | Joback Calculated Property |
| Cp,gas | 229.30 | J/mol×K | 444.05 | Joback Calculated Property |
| Cp,gas | 239.67 | J/mol×K | 473.44 | Joback Calculated Property |
| Cp,gas | 249.62 | J/mol×K | 502.83 | Joback Calculated Property |
| Cp,gas | 259.17 | J/mol×K | 532.23 | Joback Calculated Property |
| Cp,gas | 268.31 | J/mol×K | 561.62 | Joback Calculated Property |
| Cp,gas | 277.05 | J/mol×K | 591.01 | Joback Calculated Property |
| η | [0.0002508; 0.0053740] | Pa×s | [209.22; 414.66] |
|
| η | 0.0053740 | Pa×s | 209.22 | Joback Calculated Property |
| η | 0.0022516 | Pa×s | 243.46 | Joback Calculated Property |
| η | 0.0011691 | Pa×s | 277.70 | Joback Calculated Property |
| η | 0.0007010 | Pa×s | 311.94 | Joback Calculated Property |
| η | 0.0004651 | Pa×s | 346.18 | Joback Calculated Property |
| η | 0.0003322 | Pa×s | 380.42 | Joback Calculated Property |
| η | 0.0002508 | Pa×s | 414.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-BUTEN-1-OL, PROPANOATE.
Sources
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