- InChI
- InChI=1S/C12H22O2/c1-2-3-4-5-6-7-9-12(14)10-8-11-13/h12-14H,2-6,8,10-11H2,1H3
- InChI Key
- PYYUDKGZNALMSY-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- CCCCCCC#CC(O)CCCO
- Molecular Weight1
- 198.30
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8302 | Relay (1.0) Calculated Property | |
| ΔfG° | -23.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -295.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.094 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 2455.60 | kPa | Joback Calculated Property |
| Inp | 1699.00 | NIST | |
| Tboil | 558.34 | K | Relay (1.0) Calculated Property |
| Tc | 765.83 | K | Relay (1.0) Calculated Property |
| Tfus | 308.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.663 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [501.94; 568.18] | J/mol×K | [667.08; 839.39] | 
|
| Cp,gas | 501.94 | J/mol×K | 667.08 | Joback Calculated Property |
| Cp,gas | 514.28 | J/mol×K | 695.80 | Joback Calculated Property |
| Cp,gas | 526.08 | J/mol×K | 724.52 | Joback Calculated Property |
| Cp,gas | 537.35 | J/mol×K | 753.23 | Joback Calculated Property |
| Cp,gas | 548.11 | J/mol×K | 781.95 | Joback Calculated Property |
| Cp,gas | 558.38 | J/mol×K | 810.67 | Joback Calculated Property |
| Cp,gas | 568.18 | J/mol×K | 839.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dodec-5-yne-1,4-diol.
Sources
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