- InChI
- InChI=1S/C11H20/c1-10(2,3)8-7-9-11(4,5)6/h8H2,1-6H3
- InChI Key
- MJLMFLNLBQSVFD-UHFFFAOYSA-N
- Formula
- C11H20
- SMILES
- CC(C)(C)C#CCC(C)(C)C
- Molecular Weight1
- 152.28
- 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° | 250.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -15.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.64 | kJ/mol | Joback Calculated Property |
| log10WS | -3.74 | Crippen Calculated Property | |
| logPoct/wat | 3.472 | Crippen Calculated Property | |
| McVol | 157.250 | ml/mol | McGowan Calculated Property |
| Pc | 2320.31 | kPa | Joback Calculated Property |
| Inp | 857.00 | NIST | |
| Tboil | 453.62 | K | Joback Calculated Property |
| Tc | 661.20 | K | Joback Calculated Property |
| Tfus | 324.67 | K | Joback Calculated Property |
| Vc | 0.592 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [336.14; 431.31] | J/mol×K | [453.62; 661.20] | 
|
| Cp,gas | 336.14 | J/mol×K | 453.62 | Joback Calculated Property |
| Cp,gas | 354.62 | J/mol×K | 488.22 | Joback Calculated Property |
| Cp,gas | 371.97 | J/mol×K | 522.81 | Joback Calculated Property |
| Cp,gas | 388.26 | J/mol×K | 557.41 | Joback Calculated Property |
| Cp,gas | 403.54 | J/mol×K | 592.01 | Joback Calculated Property |
| Cp,gas | 417.87 | J/mol×K | 626.61 | Joback Calculated Property |
| Cp,gas | 431.31 | J/mol×K | 661.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Heptyne, 2,2,6,6-tetramethyl.
Sources
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