- InChI
- InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h3,5H,4,6H2,1-2H3/b5-3+
- InChI Key
- UCXAUVOTLFMULL-HWKANZROSA-N
- Formula
- C7H12O2
- SMILES
- CC=CCOC(=O)CC
- Molecular Weight1
- 128.17
- CAS
- 22874-75-5
- Other Names
-
- but-2-enyl 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).
- 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 | 0.4087 | Relay (1.0) Calculated Property | |
| ΔfG° | -222.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -406.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.516 | Crippen Calculated Property | |
| McVol | 112.630 | ml/mol | McGowan Calculated Property |
| Pc | 2976.29 | kPa | Joback Calculated Property |
| I | 1158.00 | NIST | |
| Tboil | 416.17 | K | Relay (1.0) Calculated Property |
| Tc | 596.34 | K | Relay (1.0) Calculated Property |
| Tfus | 193.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.413 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.41; 278.03] | J/mol×K | [422.14; 603.55] | 
|
| Cp,gas | 218.41 | J/mol×K | 422.14 | Joback Calculated Property |
| Cp,gas | 229.50 | J/mol×K | 452.37 | Joback Calculated Property |
| Cp,gas | 240.13 | J/mol×K | 482.61 | Joback Calculated Property |
| Cp,gas | 250.28 | J/mol×K | 512.84 | Joback Calculated Property |
| Cp,gas | 259.97 | J/mol×K | 543.08 | Joback Calculated Property |
| Cp,gas | 269.22 | J/mol×K | 573.31 | Joback Calculated Property |
| Cp,gas | 278.03 | J/mol×K | 603.55 | Joback Calculated Property |
| η | [0.0002095; 0.0058088] | Pa×s | [205.90; 422.14] |
|
| η | 0.0058088 | Pa×s | 205.90 | Joback Calculated Property |
| η | 0.0022104 | Pa×s | 241.94 | Joback Calculated Property |
| η | 0.0010806 | Pa×s | 277.98 | Joback Calculated Property |
| η | 0.0006226 | Pa×s | 314.02 | Joback Calculated Property |
| η | 0.0004018 | Pa×s | 350.06 | Joback Calculated Property |
| η | 0.0002814 | Pa×s | 386.10 | Joback Calculated Property |
| η | 0.0002095 | Pa×s | 422.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Buten-1-ol, propanoate.
Sources
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