- InChI
- InChI=1S/C12H18O2/c1-5-11(3,13)9-7-8-10-12(4,14)6-2/h13-14H,5-6H2,1-4H3
- InChI Key
- GLWDRGVPXZBLDS-UHFFFAOYSA-N
- Formula
- C12H18O2
- SMILES
- CCC(C)(O)C#CC#CC(C)(O)CC
- Molecular Weight1
- 194.27
- CAS
- 6626-33-1
- Other Names
-
- 3,8-Dimethyl-4,6-decadiyne-3,8-diol
- 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 | 0.6389 | Relay (1.0) Calculated Property | |
| ΔfG° | 187.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -44.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.315 | Crippen Calculated Property | |
| McVol | 174.480 | ml/mol | McGowan Calculated Property |
| Pc | 2992.59 | kPa | Joback Calculated Property |
| Tboil | 499.79 | K | Relay (1.0) Calculated Property |
| Tc | 699.48 | K | Relay (1.0) Calculated Property |
| Tfus | 339.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.648 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [463.39; 525.47] | J/mol×K | [669.86; 871.11] | 
|
| Cp,gas | 463.39 | J/mol×K | 669.86 | Joback Calculated Property |
| Cp,gas | 475.32 | J/mol×K | 703.40 | Joback Calculated Property |
| Cp,gas | 486.54 | J/mol×K | 736.94 | Joback Calculated Property |
| Cp,gas | 497.11 | J/mol×K | 770.48 | Joback Calculated Property |
| Cp,gas | 507.08 | J/mol×K | 804.02 | Joback Calculated Property |
| Cp,gas | 516.52 | J/mol×K | 837.56 | Joback Calculated Property |
| Cp,gas | 525.47 | J/mol×K | 871.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,6-Decadiyne-3,8-diol, 3,8-dimethyl-.
Sources
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