- InChI
- InChI=1S/C8H12/c1-2-5-8-6-3-4-7-8/h1,8H,3-7H2
- InChI Key
- VBTCAHMANZTRMG-UHFFFAOYSA-N
- Formula
- C8H12
- SMILES
- C#CCC1CCCC1
- Molecular Weight1
- 108.18
- CAS
- 116279-08-4
- Other Names
-
- Cyclopentylpropyne
- 2-propynylcyclopentane
- 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 | 0.2244 | Relay (... Calculated Property | |
| ΔfG° | 276.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 158.73 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 13.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.21 | kJ/mol | Relay (... Calculated Property |
| IE | 9.66 | eV | Relay (... Calculated Property |
| log10WS | -3.33 | Relay (... Calculated Property | |
| logPoct/wat | 2.200 | Crippen Calculated Property | |
| McVol | 104.120 | ml/mol | McGowan Calculated Property |
| Pc | 3637.73 | kPa | Joback Calculated Property |
| Tboil | 411.14 | K | Relay (... Calculated Property |
| Tc | 618.78 | K | Relay (... Calculated Property |
| Tfus | 194.58 | K | Relay (... Calculated Property |
| Vc | 0.346 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.65; 266.57] | J/mol×K | [387.84; 595.39] | 
|
| Cp,gas | 187.65 | J/mol×K | 387.84 | Joback Calculated Property |
| Cp,gas | 202.81 | J/mol×K | 422.43 | Joback Calculated Property |
| Cp,gas | 217.12 | J/mol×K | 457.02 | Joback Calculated Property |
| Cp,gas | 230.61 | J/mol×K | 491.62 | Joback Calculated Property |
| Cp,gas | 243.33 | J/mol×K | 526.21 | Joback Calculated Property |
| Cp,gas | 255.30 | J/mol×K | 560.80 | Joback Calculated Property |
| Cp,gas | 266.57 | J/mol×K | 595.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentyl-1-propyne.
Sources
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