- InChI
- InChI=1S/C8H14/c1-5-6-8(4)7(2)3/h7-8H,1-4H3
- InChI Key
- DFMQGJKNWBUODK-UHFFFAOYSA-N
- Formula
- C8H14
- SMILES
- CC#CC(C)C(C)C
- 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 | 0.2332 | Relay (... Calculated Property | |
| ΔfG° | 214.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 80.13 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 12.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.87 | kJ/mol | Relay (... Calculated Property |
| IE | 9.30 | eV | Relay (... Calculated Property |
| log10WS | -3.14 | Relay (... Calculated Property | |
| logPoct/wat | 2.302 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 3052.41 | kPa | Joback Calculated Property |
| Inp | [760.00; 760.00] |
|
|
| Inp | 760.00 | NIST | |
| Inp | 760.00 | NIST | |
| Tboil | 388.16 | K | Relay (... Calculated Property |
| Tc | 570.11 | K | Relay (... Calculated Property |
| Tfus | 205.89 | K | Relay (... Calculated Property |
| Vc | 0.397 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.27; 277.55] | J/mol×K | [390.56; 587.09] |
|
| Cp,gas | 208.27 | J/mol×K | 390.56 | Joback Calculated Property |
| Cp,gas | 221.10 | J/mol×K | 423.31 | Joback Calculated Property |
| Cp,gas | 233.40 | J/mol×K | 456.07 | Joback Calculated Property |
| Cp,gas | 245.18 | J/mol×K | 488.82 | Joback Calculated Property |
| Cp,gas | 256.46 | J/mol×K | 521.58 | Joback Calculated Property |
| Cp,gas | 267.24 | J/mol×K | 554.33 | Joback Calculated Property |
| Cp,gas | 277.55 | J/mol×K | 587.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexyne, 4,5-dimethyl.
Sources
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