- InChI
- InChI=1S/C10H18/c1-9(2)7-6-8-10(3,4)5/h9H,7H2,1-5H3
- InChI Key
- BPLDZBFYRLSZGD-UHFFFAOYSA-N
- Formula
- C10H18
- SMILES
- CC(C)CC#CC(C)(C)C
- Molecular Weight1
- 138.25
- 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° | 236.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 8.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.32 | kJ/mol | Joback Calculated Property |
| log10WS | -3.32 | Crippen Calculated Property | |
| logPoct/wat | 3.082 | Crippen Calculated Property | |
| McVol | 143.160 | ml/mol | McGowan Calculated Property |
| Pc | 2522.65 | kPa | Joback Calculated Property |
| Inp | 823.00 | NIST | |
| Tboil | 433.53 | K | Joback Calculated Property |
| Tc | 634.88 | K | Joback Calculated Property |
| Tfus | 295.98 | K | Joback Calculated Property |
| Vc | 0.540 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.44; 376.72] | J/mol×K | [433.53; 634.88] | 
|
| Cp,gas | 290.44 | J/mol×K | 433.53 | Joback Calculated Property |
| Cp,gas | 306.85 | J/mol×K | 467.09 | Joback Calculated Property |
| Cp,gas | 322.40 | J/mol×K | 500.65 | Joback Calculated Property |
| Cp,gas | 337.13 | J/mol×K | 534.21 | Joback Calculated Property |
| Cp,gas | 351.07 | J/mol×K | 567.77 | Joback Calculated Property |
| Cp,gas | 364.25 | J/mol×K | 601.32 | Joback Calculated Property |
| Cp,gas | 376.72 | J/mol×K | 634.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Heptyne, 2,2,6-trimethyl.
Sources
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