- InChI
- InChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h9H,4-6H2,1-3H3
- InChI Key
- VGZZDWCLCYQULT-UHFFFAOYSA-N
- Formula
- C9H16
- SMILES
- CCCCC#CC(C)C
- Molecular Weight1
- 124.22
- CAS
- 55402-15-8
- 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).
- 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 | 0.2871 | Relay (... Calculated Property | |
| ΔfG° | 225.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 61.62 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.07 | kJ/mol | Relay (... Calculated Property |
| IE | 9.26 | eV | Relay (... Calculated Property |
| log10WS | -3.72 | Relay (... Calculated Property | |
| logPoct/wat | 2.836 | Crippen Calculated Property | |
| McVol | 129.070 | ml/mol | McGowan Calculated Property |
| Pc | 2729.71 | kPa | Joback Calculated Property |
| Tboil | 417.00 ± 5.00 | K | NIST |
| Tc | 580.17 | K | Relay (... Calculated Property |
| Tfus | 172.37 | K | Relay (... Calculated Property |
| Vc | 0.478 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.21; 321.40] | J/mol×K | [413.88; 604.24] | 
|
| Cp,gas | 247.21 | J/mol×K | 413.88 | Joback Calculated Property |
| Cp,gas | 260.92 | J/mol×K | 445.61 | Joback Calculated Property |
| Cp,gas | 274.08 | J/mol×K | 477.33 | Joback Calculated Property |
| Cp,gas | 286.69 | J/mol×K | 509.06 | Joback Calculated Property |
| Cp,gas | 298.77 | J/mol×K | 540.78 | Joback Calculated Property |
| Cp,gas | 310.34 | J/mol×K | 572.51 | Joback Calculated Property |
| Cp,gas | 321.40 | J/mol×K | 604.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Octyne, 2-methyl-.
Sources
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