- InChI
- InChI=1S/C8H14/c1-5-7(3)8(4)6-2/h1,7-8H,6H2,2-4H3
- InChI Key
- GYXPVYPQOHEKON-UHFFFAOYSA-N
- Formula
- C8H14
- SMILES
- C#CC(C)C(C)CC
- Molecular Weight1
- 110.20
- 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).
- 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° | 234.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 72.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.48 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 2.302 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 3012.33 | kPa | Joback Calculated Property |
| Inp | [727.00; 727.00] |
|
|
| Inp | 727.00 | NIST | |
| Inp | 727.00 | NIST | |
| Tboil | 371.68 | K | Joback Calculated Property |
| Tc | 555.16 | K | Joback Calculated Property |
| Tfus | 196.89 | K | Joback Calculated Property |
| Vc | 0.433 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.48; 274.35] | J/mol×K | [371.68; 555.16] |
|
| Cp,gas | 207.48 | J/mol×K | 371.68 | Joback Calculated Property |
| Cp,gas | 219.93 | J/mol×K | 402.26 | Joback Calculated Property |
| Cp,gas | 231.83 | J/mol×K | 432.84 | Joback Calculated Property |
| Cp,gas | 243.21 | J/mol×K | 463.42 | Joback Calculated Property |
| Cp,gas | 254.08 | J/mol×K | 494.00 | Joback Calculated Property |
| Cp,gas | 264.45 | J/mol×K | 524.58 | Joback Calculated Property |
| Cp,gas | 274.35 | J/mol×K | 555.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexyne, 3,4-dimethyl.
Sources
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