- InChI
- InChI=1S/C8H14/c1-5-7-8(3,4)6-2/h2H,5,7H2,1,3-4H3
- InChI Key
- MLRORDXAZGLTKK-UHFFFAOYSA-N
- Formula
- C8H14
- SMILES
- C#CC(C)(C)CCC
- Molecular Weight1
- 110.20
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.2235 | Relay (... Calculated Property | |
| ΔfG° | 242.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 81.72 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 12.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.41 | kJ/mol | Relay (... Calculated Property |
| IE | 9.56 | eV | Relay (... Calculated Property |
| log10WS | -3.41 | Relay (... Calculated Property | |
| logPoct/wat | 2.446 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 3022.28 | kPa | Joback Calculated Property |
| Inp | [679.00; 679.00] |
|
|
| Inp | 679.00 | NIST | |
| Inp | 679.00 | NIST | |
| Tboil | 373.31 | K | Relay (... Calculated Property |
| Tc | 545.18 | K | Relay (... Calculated Property |
| Tfus | 183.74 | K | Relay (... Calculated Property |
| Vc | 0.403 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.60; 278.38] | J/mol×K | [369.33; 556.28] |
|
| Cp,gas | 208.60 | J/mol×K | 369.33 | Joback Calculated Property |
| Cp,gas | 221.92 | J/mol×K | 400.49 | Joback Calculated Property |
| Cp,gas | 234.52 | J/mol×K | 431.65 | Joback Calculated Property |
| Cp,gas | 246.44 | J/mol×K | 462.81 | Joback Calculated Property |
| Cp,gas | 257.70 | J/mol×K | 493.97 | Joback Calculated Property |
| Cp,gas | 268.33 | J/mol×K | 525.12 | Joback Calculated Property |
| Cp,gas | 278.38 | J/mol×K | 556.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexyne, 3,3-dimethyl.
Sources
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