- 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).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -88.00 ± 5.00 | kJ/mol | NIST |
| ΔfusH° | 9.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.51; 8.51] | eV |
|
| IE | 8.51 ± 0.03 | eV | NIST |
| IE | 8.51 ± 0.03 | eV | NIST |
| logPoct/wat | 1.244 | Crippen Calculated Property | |
| McVol | 64.490 | ml/mol | McGowan Calculated Property |
| Tboil | 407.84 | K | Relay (1.0) Calculated Property |
| Tfus | 266.01 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [105.33; 136.77] | J/mol×K | [384.14; 558.05] |
|
| Cp,gas | 105.33 | J/mol×K | 384.14 | Joback Calculated Property |
| Cp,gas | 111.32 | J/mol×K | 413.13 | Joback Calculated Property |
| Cp,gas | 117.00 | J/mol×K | 442.11 | Joback Calculated Property |
| Cp,gas | 122.36 | J/mol×K | 471.10 | Joback Calculated Property |
| Cp,gas | 127.43 | J/mol×K | 500.08 | Joback Calculated Property |
| Cp,gas | 132.23 | J/mol×K | 529.07 | Joback Calculated Property |
| Cp,gas | 136.77 | J/mol×K | 558.05 | Joback Calculated Property |
| η | [0.0002637; 0.1354317] | Pa×s | [188.82; 384.14] |
|
| η | 0.1354317 | Pa×s | 188.82 | Joback Calculated Property |
| η | 0.0222740 | Pa×s | 221.37 | Joback Calculated Property |
| η | 0.0058193 | Pa×s | 253.93 | Joback Calculated Property |
| η | 0.0020627 | Pa×s | 286.48 | Joback Calculated Property |
| η | 0.0009034 | Pa×s | 319.03 | Joback Calculated Property |
| η | 0.0004611 | Pa×s | 351.59 | Joback Calculated Property |
| η | 0.0002637 | Pa×s | 384.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-1,3-Butadien-1-ol.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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