- InChI
- InChI=1S/C12H18O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,5-12H2
- InChI Key
- SEWYHOMCDKWYEF-UHFFFAOYSA-N
- Formula
- C12H18O2
- SMILES
- OCCCCC#CC#CCCCCO
- Molecular Weight1
- 194.27
- CAS
- 74602-32-7
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -7.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.21 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.318 | Crippen Calculated Property | |
| McVol | 174.480 | ml/mol | McGowan Calculated Property |
| Pc | 2871.95 | kPa | Joback Calculated Property |
| Inp | [1724.00; 1724.00] |
|
|
| Inp | 1724.00 | NIST | |
| Inp | 1724.00 | NIST | |
| Tboil | 573.16 | K | Relay (1.0) Calculated Property |
| Tc | 779.61 | K | Relay (1.0) Calculated Property |
| Tfus | 332.31 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.25; 553.52] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.76780e+01 | |||
| Coefficient B | 9.12200e-01 | |||
| Coefficient C | -5.05520e-04 | |||
| Coefficient D | 1.09160e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 251.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 301.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 347.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 388.45 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 424.94 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 457.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 486.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 511.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 533.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 553.52 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 5,7-Dodecadiyn-1,12-diol.
Sources
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