- InChI
- InChI=1S/C14H24O/c1-2-14(15)12-10-8-6-4-3-5-7-9-11-13-14/h1,15H,3-13H2
- InChI Key
- DCHDUZYXRMNPCU-UHFFFAOYSA-N
- Formula
- C14H24O
- SMILES
- C#CC1(O)CCCCCCCCCCC1
- Molecular Weight1
- 208.34
- 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.
- I : 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° | 99.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -160.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.61 | kJ/mol | Joback Calculated Property |
| log10WS | -4.75 | Crippen Calculated Property | |
| logPoct/wat | 3.655 | Crippen Calculated Property | |
| McVol | 194.530 | ml/mol | McGowan Calculated Property |
| Pc | 2707.03 | kPa | Joback Calculated Property |
| Inp | [1632.20; 1657.90] |
|
|
| Inp | 1632.20 | NIST | |
| Inp | 1641.00 | NIST | |
| Inp | 1657.90 | NIST | |
| Inp | 1632.20 | NIST | |
| Inp | 1641.00 | NIST | |
| Inp | 1657.90 | NIST | |
| Inp | 1632.20 | NIST | |
| Inp | 1657.90 | NIST | |
| I | [2289.70; 2361.70] |
|
|
| I | 2289.70 | NIST | |
| I | 2318.40 | NIST | |
| I | 2361.70 | NIST | |
| I | 2289.70 | NIST | |
| I | 2318.40 | NIST | |
| I | 2361.70 | NIST | |
| I | 2289.70 | NIST | |
| I | 2361.70 | NIST | |
| Tboil | 647.43 | K | Joback Calculated Property |
| Tc | 883.27 | K | Joback Calculated Property |
| Tfus | 365.49 | K | Joback Calculated Property |
| Vc | 0.683 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [542.23; 660.10] | J/mol×K | [647.43; 883.27] |
|
| Cp,gas | 542.23 | J/mol×K | 647.43 | Joback Calculated Property |
| Cp,gas | 565.02 | J/mol×K | 686.74 | Joback Calculated Property |
| Cp,gas | 586.41 | J/mol×K | 726.04 | Joback Calculated Property |
| Cp,gas | 606.49 | J/mol×K | 765.35 | Joback Calculated Property |
| Cp,gas | 625.39 | J/mol×K | 804.65 | Joback Calculated Property |
| Cp,gas | 643.22 | J/mol×K | 843.96 | Joback Calculated Property |
| Cp,gas | 660.10 | J/mol×K | 883.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hydroxy-1-ethynylcyclododecane.
Sources
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