- InChI
- InChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h9H,3-5,7-8H2,1H3
- InChI Key
- IWDWSCMNLSLHKQ-UHFFFAOYSA-N
- Formula
- C9H14
- SMILES
- CC#CC1CCCCC1
- Molecular Weight1
- 122.21
- CAS
- 18736-95-3
- 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).
- 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° | 252.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 97.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.21 | kJ/mol | Joback Calculated Property |
| log10WS | -3.04 | Crippen Calculated Property | |
| logPoct/wat | 2.590 | Crippen Calculated Property | |
| McVol | 118.210 | ml/mol | McGowan Calculated Property |
| Pc | 3392.03 | kPa | Joback Calculated Property |
| Tboil | 436.00 ± 1.00 | K | NIST |
| Tc | 662.36 | K | Joback Calculated Property |
| Tfus | 304.67 | K | Joback Calculated Property |
| Vc | 0.434 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [228.57; 322.24] | J/mol×K | [433.87; 662.36] | 
|
| Cp,gas | 228.57 | J/mol×K | 433.87 | Joback Calculated Property |
| Cp,gas | 246.52 | J/mol×K | 471.95 | Joback Calculated Property |
| Cp,gas | 263.49 | J/mol×K | 510.03 | Joback Calculated Property |
| Cp,gas | 279.53 | J/mol×K | 548.11 | Joback Calculated Property |
| Cp,gas | 294.64 | J/mol×K | 586.19 | Joback Calculated Property |
| Cp,gas | 308.87 | J/mol×K | 624.27 | Joback Calculated Property |
| Cp,gas | 322.24 | J/mol×K | 662.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Cyclohexyl-1-propyne.
Sources
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