- InChI
- InChI=1S/C6H8/c1-4-5-6(2)3/h2H2,1,3H3
- InChI Key
- KGIABMDFILVKGN-UHFFFAOYSA-N
- Formula
- C6H8
- SMILES
- C=C(C)C#CC
- Molecular Weight1
- 80.13
- CAS
- 926-55-6
- Other Names
-
- CH3C«equiv»CC(CH3)=CH2
- 2-Methyl-1-pentene-3-yne
- 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).
- 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° | 281.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 220.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.51 | kJ/mol | Joback Calculated Property |
| IE | 8.72 ± 0.01 | eV | NIST |
| log10WS | -1.98 | Crippen Calculated Property | |
| logPoct/wat | 1.586 | Crippen Calculated Property | |
| McVol | 82.500 | ml/mol | McGowan Calculated Property |
| Pc | 3970.51 | kPa | Joback Calculated Property |
| Tboil | 355.50 ± 0.50 | K | NIST |
| Tc | 539.62 | K | Joback Calculated Property |
| Tfus | 247.76 | K | Joback Calculated Property |
| Vc | 0.316 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [125.29; 170.84] | J/mol×K | [342.24; 539.62] | 
|
| Cp,gas | 125.29 | J/mol×K | 342.24 | Joback Calculated Property |
| Cp,gas | 133.76 | J/mol×K | 375.14 | Joback Calculated Property |
| Cp,gas | 141.86 | J/mol×K | 408.03 | Joback Calculated Property |
| Cp,gas | 149.61 | J/mol×K | 440.93 | Joback Calculated Property |
| Cp,gas | 157.01 | J/mol×K | 473.83 | Joback Calculated Property |
| Cp,gas | 164.08 | J/mol×K | 506.73 | Joback Calculated Property |
| Cp,gas | 170.84 | J/mol×K | 539.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Penten-3-yne, 2-methyl-.
Sources
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