- InChI
- InChI=1S/C8H12O/c1-2-8(9)6-4-3-5-7-8/h1,9H,3-7H2
- InChI Key
- QYLFHLNFIHBCPR-UHFFFAOYSA-N
- Formula
- C8H12O
- SMILES
- C#CC1(O)CCCCC1
- Molecular Weight1
- 124.18
- CAS
- 78-27-3
- Other Names
-
- (1-Hydroxycyclohexyl)ethyne
- 1-Ethynyl-1-cyclohexanol
- 1-Ethynyl-1-hydroxycyclohexane
- 1-Ethynylcyclohexan-1-ol
- 1-Ethynylcyclohexanol
- Ethynylcyclohexanol
- 1-Hydroxy-1-ethynylcyclohexane
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 121.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 0.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.22 | kJ/mol | Joback Calculated Property |
| IE | 10.60 | eV | NIST |
| log10WS | -2.24 | Crippen Calculated Property | |
| logPoct/wat | 1.315 | Crippen Calculated Property | |
| McVol | 109.990 | ml/mol | McGowan Calculated Property |
| Pc | 4468.24 | kPa | Joback Calculated Property |
| Tboil | 453.20 | K | NIST |
| Tc | 697.51 | K | Joback Calculated Property |
| Tfus | 305.00 ± 3.00 | K | NIST |
| Vc | 0.396 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.68; 309.80] | J/mol×K | [484.53; 697.51] | 
|
| Cp,gas | 241.68 | J/mol×K | 484.53 | Joback Calculated Property |
| Cp,gas | 255.15 | J/mol×K | 520.03 | Joback Calculated Property |
| Cp,gas | 267.63 | J/mol×K | 555.52 | Joback Calculated Property |
| Cp,gas | 279.22 | J/mol×K | 591.02 | Joback Calculated Property |
| Cp,gas | 290.04 | J/mol×K | 626.52 | Joback Calculated Property |
| Cp,gas | 300.19 | J/mol×K | 662.01 | Joback Calculated Property |
| Cp,gas | 309.80 | J/mol×K | 697.51 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 347.00 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to Cyclohexanol, 1-ethynyl-.
Sources
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