- InChI
- InChI=1S/C10H14O2/c1-3-10(12-9(2)11)7-5-4-6-8-10/h1H,4-8H2,2H3
- InChI Key
- YASSLXHVJQGNOK-UHFFFAOYSA-N
- Formula
- C10H14O2
- SMILES
- C#CC1(OC(C)=O)CCCCC1
- Molecular Weight1
- 166.22
- CAS
- 5240-32-4
- Other Names
-
- 1-ethynylcyclohexyl acetate
- 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).
- Inp : Non-polar retention indices.
- 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° | 41.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -133.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.15 | kJ/mol | Joback Calculated Property |
| log10WS | -2.67 | Crippen Calculated Property | |
| logPoct/wat | 1.886 | Crippen Calculated Property | |
| McVol | 139.740 | ml/mol | McGowan Calculated Property |
| Pc | 3325.84 | kPa | Joback Calculated Property |
| Inp | 1136.70 | NIST | |
| Tboil | 514.40 | K | Joback Calculated Property |
| Tc | 744.43 | K | Joback Calculated Property |
| Tfus | 352.87 | K | Joback Calculated Property |
| Vc | 0.512 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [318.97; 403.72] | J/mol×K | [514.40; 744.43] | 
|
| Cp,gas | 318.97 | J/mol×K | 514.40 | Joback Calculated Property |
| Cp,gas | 335.52 | J/mol×K | 552.74 | Joback Calculated Property |
| Cp,gas | 350.93 | J/mol×K | 591.08 | Joback Calculated Property |
| Cp,gas | 365.33 | J/mol×K | 629.42 | Joback Calculated Property |
| Cp,gas | 378.85 | J/mol×K | 667.76 | Joback Calculated Property |
| Cp,gas | 391.60 | J/mol×K | 706.10 | Joback Calculated Property |
| Cp,gas | 403.72 | J/mol×K | 744.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanol, 1-ethynyl-, acetate.
Sources
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