- InChI
- InChI=1S/C6H8O/c1-4-6(3,7)5-2/h1,5,7H,2H2,3H3
- InChI Key
- VBATUBQIYXCZPA-UHFFFAOYSA-N
- Formula
- C6H8O
- SMILES
- C#CC(C)(O)C=C
- Molecular Weight1
- 96.13
- CAS
- 3230-69-1
- Other Names
-
- 1-Penten-4-yn-3-ol, 3-methyl-
- 3-Methyl-pent-4-en-1-yn-3-ol
- 3-Methyl pent-4-en-l-yn-3-ol
- 3-methylpent-1-en-4-yn-3-ol
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -3322.50 ± 1.70 | kJ/mol | NIST |
| ΔfG° | 176.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 89.18 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -181.90 ± 1.70 | kJ/mol | NIST |
| ΔfusH° | 9.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.52 | kJ/mol | Joback Calculated Property |
| log10WS | -1.36 | Crippen Calculated Property | |
| logPoct/wat | 0.557 | Crippen Calculated Property | |
| McVol | 88.370 | ml/mol | McGowan Calculated Property |
| Pc | 4486.22 | kPa | Joback Calculated Property |
| Tboil | 412.43 | K | Joback Calculated Property |
| Tc | 599.34 | K | Joback Calculated Property |
| Tfus | 265.83 | K | Joback Calculated Property |
| Vc | 0.323 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [168.03; 210.63] | J/mol×K | [412.43; 599.34] | 
|
| Cp,gas | 168.03 | J/mol×K | 412.43 | Joback Calculated Property |
| Cp,gas | 176.41 | J/mol×K | 443.58 | Joback Calculated Property |
| Cp,gas | 184.24 | J/mol×K | 474.73 | Joback Calculated Property |
| Cp,gas | 191.54 | J/mol×K | 505.88 | Joback Calculated Property |
| Cp,gas | 198.35 | J/mol×K | 537.04 | Joback Calculated Property |
| Cp,gas | 204.70 | J/mol×K | 568.19 | Joback Calculated Property |
| Cp,gas | 210.63 | J/mol×K | 599.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-1-penten-4-yn-3-ol.
Sources
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