- InChI
- InChI=1S/C6H12O/c1-4-6(3,7)5-2/h4,7H,1,5H2,2-3H3
- InChI Key
- HFYAEUXHCMTPOL-UHFFFAOYSA-N
- Formula
- C6H12O
- SMILES
- C=CC(C)(O)CC
- Molecular Weight1
- 100.16
- CAS
- 918-85-4
- Other Names
-
- (.+/-.)-3-Methyl-1-penten-3-ol
- 3-Methyl-1-penten-3-ol
- 3-Methyl-penten-(1)-ol-(3)
- 3-methylpent-1-en-3-ol
- Ethylbutenol
- Methylethylvinylcarbinol
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ω | 0.5217 | Relay (1.0) Calculated Property | |
| ΔfG° | -46.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -234.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.333 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Pc | 3713.49 | kPa | Joback Calculated Property |
| Tboil | 390.70 | K | NIST |
| Tc | 563.40 | K | Relay (1.0) Calculated Property |
| Tfus | 229.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.352 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.52; 247.07] | J/mol×K | [422.31; 596.78] | 
|
| Cp,gas | 194.52 | J/mol×K | 422.31 | Joback Calculated Property |
| Cp,gas | 204.52 | J/mol×K | 451.39 | Joback Calculated Property |
| Cp,gas | 213.99 | J/mol×K | 480.47 | Joback Calculated Property |
| Cp,gas | 222.96 | J/mol×K | 509.55 | Joback Calculated Property |
| Cp,gas | 231.44 | J/mol×K | 538.63 | Joback Calculated Property |
| Cp,gas | 239.47 | J/mol×K | 567.71 | Joback Calculated Property |
| Cp,gas | 247.07 | J/mol×K | 596.78 | Joback Calculated Property |
| η | [0.0002738; 0.1218411] | Pa×s | [218.86; 422.31] |
|
| η | 0.1218411 | Pa×s | 218.86 | Joback Calculated Property |
| η | 0.0223014 | Pa×s | 252.77 | Joback Calculated Property |
| η | 0.0060999 | Pa×s | 286.68 | Joback Calculated Property |
| η | 0.0021949 | Pa×s | 320.59 | Joback Calculated Property |
| η | 0.0009604 | Pa×s | 354.49 | Joback Calculated Property |
| η | 0.0004854 | Pa×s | 388.40 | Joback Calculated Property |
| η | 0.0002738 | Pa×s | 422.31 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.30; 202.64] | kPa | [295.70; 413.02] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.58994e+01 | |||
| Coefficient B | -3.84626e+03 | |||
| Coefficient C | -4.97510e+01 | |||
| Temperature range, min. | 295.70 | |||
| Temperature range, max. | 413.02 | |||
| Pvap | 1.30 | kPa | 295.70 | Calculated Property |
| Pvap | 2.85 | kPa | 308.74 | Calculated Property |
| Pvap | 5.81 | kPa | 321.77 | Calculated Property |
| Pvap | 11.09 | kPa | 334.81 | Calculated Property |
| Pvap | 20.01 | kPa | 347.84 | Calculated Property |
| Pvap | 34.36 | kPa | 360.88 | Calculated Property |
| Pvap | 56.49 | kPa | 373.91 | Calculated Property |
| Pvap | 89.37 | kPa | 386.95 | Calculated Property |
| Pvap | 136.64 | kPa | 399.98 | Calculated Property |
| Pvap | 202.64 | kPa | 413.02 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Penten-3-ol, 3-methyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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