- InChI
- InChI=1S/C9H16/c1-6-7-9(4,5)8(2)3/h8H,1-5H3
- InChI Key
- YRWKVFWKGUZUGY-UHFFFAOYSA-N
- Formula
- C9H16
- SMILES
- CC#CC(C)(C)C(C)C
- Molecular Weight1
- 124.22
- CAS
- 994-21-8
- 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).
- 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° | 228.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 29.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.10 | kJ/mol | Joback Calculated Property |
| IE | 9.15 ± 0.01 | eV | NIST |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 2.692 | Crippen Calculated Property | |
| McVol | 129.070 | ml/mol | McGowan Calculated Property |
| Pc | 2784.72 | kPa | Joback Calculated Property |
| Inp | 806.00 | NIST | |
| Tboil | 410.65 | K | Joback Calculated Property |
| Tc | 614.14 | K | Joback Calculated Property |
| Tfus | 284.71 | K | Joback Calculated Property |
| Vc | 0.484 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [248.99; 329.43] | J/mol×K | [410.65; 614.14] | 
|
| Cp,gas | 248.99 | J/mol×K | 410.65 | Joback Calculated Property |
| Cp,gas | 264.32 | J/mol×K | 444.57 | Joback Calculated Property |
| Cp,gas | 278.83 | J/mol×K | 478.48 | Joback Calculated Property |
| Cp,gas | 292.56 | J/mol×K | 512.40 | Joback Calculated Property |
| Cp,gas | 305.55 | J/mol×K | 546.31 | Joback Calculated Property |
| Cp,gas | 317.83 | J/mol×K | 580.23 | Joback Calculated Property |
| Cp,gas | 329.43 | J/mol×K | 614.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexyne, 4,4,5-trimethyl.
Sources
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