- InChI
- InChI=1S/C4H6O/c1-2-3-4-5/h3,5H,1,4H2
- InChI Key
- JXKCVRNKAPHWJG-UHFFFAOYSA-N
- Formula
- C4H6O
- SMILES
- C=C=CCO
- Molecular Weight1
- 70.09
- CAS
- 18913-31-0
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-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° | 62.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 10.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.94 | kJ/mol | Joback Calculated Property |
| IE | [8.74; 8.74] | eV |
|
| IE | 8.74 | eV | NIST |
| IE | 8.74 | eV | NIST |
| log10WS | -0.49 | Crippen Calculated Property | |
| logPoct/wat | 0.320 | Crippen Calculated Property | |
| McVol | 64.490 | ml/mol | McGowan Calculated Property |
| Pc | 5281.57 | kPa | Joback Calculated Property |
| Inp | [663.00; 663.00] |
|
|
| Inp | 663.00 | NIST | |
| Inp | 663.00 | NIST | |
| Tboil | 383.05 | K | Joback Calculated Property |
| Tc | 558.99 | K | Joback Calculated Property |
| Tfus | 200.41 | K | Joback Calculated Property |
| Vc | 0.239 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [111.14; 139.60] | J/mol×K | [383.05; 558.99] |
|
| Cp,gas | 111.14 | J/mol×K | 383.05 | Joback Calculated Property |
| Cp,gas | 116.27 | J/mol×K | 412.37 | Joback Calculated Property |
| Cp,gas | 121.24 | J/mol×K | 441.70 | Joback Calculated Property |
| Cp,gas | 126.06 | J/mol×K | 471.02 | Joback Calculated Property |
| Cp,gas | 130.73 | J/mol×K | 500.34 | Joback Calculated Property |
| Cp,gas | 135.24 | J/mol×K | 529.67 | Joback Calculated Property |
| Cp,gas | 139.60 | J/mol×K | 558.99 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 2805.28] | kPa | [305.32; 384.33] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 3.23936e+01 | |||
| Coefficient B | -8.10714e+03 | |||
| Coefficient C | -5.28090e+01 | |||
| Temperature range, min. | 305.32 | |||
| Temperature range, max. | 384.33 | |||
| Pvap | 1.33 | kPa | 305.32 | Calculated Property |
| Pvap | 3.92 | kPa | 314.10 | Calculated Property |
| Pvap | 10.75 | kPa | 322.88 | Calculated Property |
| Pvap | 27.66 | kPa | 331.66 | Calculated Property |
| Pvap | 67.17 | kPa | 340.44 | Calculated Property |
| Pvap | 154.80 | kPa | 349.21 | Calculated Property |
| Pvap | 339.99 | kPa | 357.99 | Calculated Property |
| Pvap | 714.58 | kPa | 366.77 | Calculated Property |
| Pvap | 1442.42 | kPa | 375.55 | Calculated Property |
| Pvap | 2805.28 | kPa | 384.33 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Butadien-1-ol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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