- InChI
- InChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2
- InChI Key
- ZSPTYLOMNJNZNG-UHFFFAOYSA-N
- Formula
- C4H8O
- SMILES
- C=CCCO
- Molecular Weight1
- 72.11
- CAS
- 627-27-0
- Other Names
-
- 1-Buten-4-ol
- 3-Buten-1-O1
- 3-Butenyl alcohol
- Allylcarbinol
- BUTEN-(3)-O1-(L)
- But-3-en-1-ol
- CH2=CHCH2CH2OH
- Vinylethyl alcohol
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- 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 |
|---|---|---|---|
| ΔfG° | -66.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -152.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.80 | kJ/mol | NIST |
| IE | 9.56 ± 0.05 | eV | NIST |
| log10WS | -0.61 | Crippen Calculated Property | |
| logPoct/wat | 0.555 | Crippen Calculated Property | |
| McVol | 68.790 | ml/mol | McGowan Calculated Property |
| Pc | 4640.32 | kPa | Joback Calculated Property |
| Inp | [596.00; 663.00] |
|
|
| Inp | 640.00 | NIST | |
| Inp | 641.00 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 641.00 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 596.00 | NIST | |
| Inp | 597.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 641.00 | NIST | |
| Inp | 609.00 | NIST | |
| Inp | 629.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 609.00 | NIST | |
| Inp | 597.00 | NIST | |
| Inp | 629.00 | NIST | |
| I | [1137.00; 1209.00] |
|
|
| I | 1187.00 | NIST | |
| I | 1209.00 | NIST | |
| I | 1185.00 | NIST | |
| I | 1187.00 | NIST | |
| I | 1209.00 | NIST | |
| I | 1185.00 | NIST | |
| I | 1171.00 | NIST | |
| I | 1170.00 | NIST | |
| I | 1149.00 | NIST | |
| I | 1178.00 | NIST | |
| I | Outlier 1137.00 | NIST | |
| I | 1187.00 | NIST | |
| I | 1185.00 | NIST | |
| Tboil | [385.40; 387.00] | K |
|
| Tboil | 386.70 | K | NIST |
| Tboil | 387.00 | K | NIST |
| Tboil | 385.40 ± 2.00 | K | NIST |
| Tc | 545.02 | K | Joback Calculated Property |
| Tfus | 193.90 | K | Joback Calculated Property |
| Vc | 0.260 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [120.47; 155.26] | J/mol×K | [379.78; 545.02] |
|
| Cp,gas | 120.47 | J/mol×K | 379.78 | Joback Calculated Property |
| Cp,gas | 126.89 | J/mol×K | 407.32 | Joback Calculated Property |
| Cp,gas | 133.04 | J/mol×K | 434.86 | Joback Calculated Property |
| Cp,gas | 138.95 | J/mol×K | 462.40 | Joback Calculated Property |
| Cp,gas | 144.62 | J/mol×K | 489.94 | Joback Calculated Property |
| Cp,gas | 150.05 | J/mol×K | 517.48 | Joback Calculated Property |
| Cp,gas | 155.26 | J/mol×K | 545.02 | Joback Calculated Property |
| η | [0.0003373; 0.1244334] | Pa×s | [193.90; 379.78] |
|
| η | 0.1244334 | Pa×s | 193.90 | Joback Calculated Property |
| η | 0.0235746 | Pa×s | 224.88 | Joback Calculated Property |
| η | 0.0066821 | Pa×s | 255.86 | Joback Calculated Property |
| η | 0.0024869 | Pa×s | 286.84 | Joback Calculated Property |
| η | 0.0011222 | Pa×s | 317.82 | Joback Calculated Property |
| η | 0.0005833 | Pa×s | 348.80 | Joback Calculated Property |
| η | 0.0003373 | Pa×s | 379.78 | Joback Calculated Property |
| ΔvapH | [46.70; 50.90] | kJ/mol | [313.00; 343.00] |
|
| ΔvapH | 50.90 ± 0.10 | kJ/mol | 313.00 | NIST |
| ΔvapH | 48.80 ± 0.10 | kJ/mol | 328.00 | NIST |
| ΔvapH | 46.70 ± 0.10 | kJ/mol | 343.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [292.92; 408.83] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.58992e+01 | |||
| Coefficient B | -3.81362e+03 | |||
| Coefficient C | -4.86390e+01 | |||
| Temperature range, min. | 292.92 | |||
| Temperature range, max. | 408.83 | |||
| Pvap | 1.33 | kPa | 292.92 | Calculated Property |
| Pvap | 2.91 | kPa | 305.80 | Calculated Property |
| Pvap | 5.91 | kPa | 318.68 | Calculated Property |
| Pvap | 11.24 | kPa | 331.56 | Calculated Property |
| Pvap | 20.22 | kPa | 344.44 | Calculated Property |
| Pvap | 34.62 | kPa | 357.31 | Calculated Property |
| Pvap | 56.78 | kPa | 370.19 | Calculated Property |
| Pvap | 89.65 | kPa | 383.07 | Calculated Property |
| Pvap | 136.84 | kPa | 395.95 | Calculated Property |
| Pvap | 202.64 | kPa | 408.83 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Buten-1-ol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
property mean.