- InChI
- InChI=1S/C9H14O/c1-2-9(10)7-5-3-4-6-8-9/h1,10H,3-8H2
- InChI Key
- QKJJSXGDSZZUKI-UHFFFAOYSA-N
- Formula
- C9H14O
- SMILES
- C#CC1(O)CCCCCC1
- Molecular Weight1
- 138.21
- CAS
- 2809-78-1
- Other Names
-
- 1-Ethynylcycloheptanol
- 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 | 0.4376 | Relay (1.0) Calculated Property | |
| ΔfG° | 118.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -82.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.705 | Crippen Calculated Property | |
| McVol | 124.080 | ml/mol | McGowan Calculated Property |
| Pc | 4072.51 | kPa | Joback Calculated Property |
| Tboil | 472.47 | K | Relay (1.0) Calculated Property |
| Tc | 708.31 | K | Relay (1.0) Calculated Property |
| Tfus | 320.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.413 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [285.24; 363.06] | J/mol×K | [511.68; 729.36] | 
|
| Cp,gas | 285.24 | J/mol×K | 511.68 | Joback Calculated Property |
| Cp,gas | 300.45 | J/mol×K | 547.96 | Joback Calculated Property |
| Cp,gas | 314.61 | J/mol×K | 584.24 | Joback Calculated Property |
| Cp,gas | 327.84 | J/mol×K | 620.52 | Joback Calculated Property |
| Cp,gas | 340.25 | J/mol×K | 656.80 | Joback Calculated Property |
| Cp,gas | 351.95 | J/mol×K | 693.08 | Joback Calculated Property |
| Cp,gas | 363.06 | J/mol×K | 729.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Ethynyl-1-cycloheptanol.
Sources
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