- InChI
- InChI=1S/C13H14O/c14-13(9-4-5-10-13)11-8-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,9-10H2
- InChI Key
- ZDUXLFHBOAAXED-UHFFFAOYSA-N
- Formula
- C13H14O
- SMILES
- OC1(C#Cc2ccccc2)CCCC1
- Molecular Weight1
- 186.25
- CAS
- 25118-60-9
- 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 | 0.5363 | Relay (1.0) Calculated Property | |
| ΔfG° | 268.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 107.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.343 | Crippen Calculated Property | |
| McVol | 156.680 | ml/mol | McGowan Calculated Property |
| Pc | 3637.73 | kPa | Joback Calculated Property |
| Tboil | 556.64 | K | Relay (1.0) Calculated Property |
| Tc | 810.92 | K | Relay (1.0) Calculated Property |
| Tfus | 331.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.553 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [401.04; 483.33] | J/mol×K | [640.22; 884.47] | 
|
| Cp,gas | 401.04 | J/mol×K | 640.22 | Joback Calculated Property |
| Cp,gas | 416.58 | J/mol×K | 680.93 | Joback Calculated Property |
| Cp,gas | 431.13 | J/mol×K | 721.64 | Joback Calculated Property |
| Cp,gas | 444.87 | J/mol×K | 762.35 | Joback Calculated Property |
| Cp,gas | 458.02 | J/mol×K | 803.06 | Joback Calculated Property |
| Cp,gas | 470.78 | J/mol×K | 843.77 | Joback Calculated Property |
| Cp,gas | 483.33 | J/mol×K | 884.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(Phenylethynyl)-1-cyclopentanol.
Sources
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