- InChI
- InChI=1S/C4H6O/c1-2-3-4-5/h2-5H,1H2/b4-3+
- InChI Key
- LNDKRVOOYMEYTC-ONEGZZNKSA-N
- Formula
- C4H6O
- SMILES
- C=CC=CO
- Molecular Weight1
- 70.09
- CAS
- 70411-98-2
- Other Names
-
- CH2=CHCH=CHOH (E)-
- (E)-1-Hydroxy-1,3-butadiene
- (1E)-1,3-Butadien-1-ol
- (E)-1,3-Butadienol
- 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).
- 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° | 14.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -88.00 ± 5.00 | kJ/mol | NIST |
| ΔfusH° | 9.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.47 | kJ/mol | Joback Calculated Property |
| IE | 8.51 ± 0.03 | eV | NIST |
| log10WS | -1.02 | Crippen Calculated Property | |
| logPoct/wat | 1.244 | Crippen Calculated Property | |
| McVol | 64.490 | ml/mol | McGowan Calculated Property |
| Pc | 4987.39 | kPa | Joback Calculated Property |
| Tboil | 383.94 | K | Joback Calculated Property |
| Tc | 557.76 | K | Joback Calculated Property |
| Tfus | 188.82 | K | Joback Calculated Property |
| Vc | 0.239 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [105.28; 136.72] | J/mol×K | [383.94; 557.76] | 
|
| Cp,gas | 105.28 | J/mol×K | 383.94 | Joback Calculated Property |
| Cp,gas | 111.28 | J/mol×K | 412.91 | Joback Calculated Property |
| Cp,gas | 116.95 | J/mol×K | 441.88 | Joback Calculated Property |
| Cp,gas | 122.32 | J/mol×K | 470.85 | Joback Calculated Property |
| Cp,gas | 127.39 | J/mol×K | 499.82 | Joback Calculated Property |
| Cp,gas | 132.19 | J/mol×K | 528.79 | Joback Calculated Property |
| Cp,gas | 136.72 | J/mol×K | 557.76 | Joback Calculated Property |
| η | [0.0002646; 0.1354317] | Pa×s | [188.82; 383.94] |
|
| η | 0.1354317 | Pa×s | 188.82 | Joback Calculated Property |
| η | 0.0223091 | Pa×s | 221.34 | Joback Calculated Property |
| η | 0.0058333 | Pa×s | 253.86 | Joback Calculated Property |
| η | 0.0020685 | Pa×s | 286.38 | Joback Calculated Property |
| η | 0.0009062 | Pa×s | 318.90 | Joback Calculated Property |
| η | 0.0004625 | Pa×s | 351.42 | Joback Calculated Property |
| η | 0.0002646 | Pa×s | 383.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-1,3-Butadien-1-ol.
Sources
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