- InChI
- InChI=1S/C10H14O2/c1-9(2,11)7-5-6-8-10(3,4)12/h11-12H,1-4H3
- InChI Key
- CKVWIEREOYIKNC-UHFFFAOYSA-N
- Formula
- C10H14O2
- SMILES
- CC(C)(O)C#CC#CC(C)(C)O
- Molecular Weight1
- 166.22
- CAS
- 5929-72-6
- Other Names
-
- 2,7-Dimethyl-octa-3,5-diyne-2,7-diol
- 3,5-Octadiyne-2,7-diol, 2,7-dimethyl-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 10.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.535 | Crippen Calculated Property | |
| McVol | 146.300 | ml/mol | McGowan Calculated Property |
| Tboil | 484.96 | K | Relay (1.0) Calculated Property |
| Tfus | 382.47 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [365.70; 420.12] | J/mol×K | [624.10; 831.01] | 
|
| Cp,gas | 365.70 | J/mol×K | 624.10 | Joback Calculated Property |
| Cp,gas | 376.29 | J/mol×K | 658.58 | Joback Calculated Property |
| Cp,gas | 386.20 | J/mol×K | 693.07 | Joback Calculated Property |
| Cp,gas | 395.48 | J/mol×K | 727.55 | Joback Calculated Property |
| Cp,gas | 404.19 | J/mol×K | 762.04 | Joback Calculated Property |
| Cp,gas | 412.38 | J/mol×K | 796.52 | Joback Calculated Property |
| Cp,gas | 420.12 | J/mol×K | 831.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,7-Dimethyloctadiyne-3,5-diol-2,7.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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