- 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).
- 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.
- 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° | 182.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -50.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.97 | kJ/mol | Joback Calculated Property |
| log10WS | -2.96 | Crippen 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 | 676.32 | K | Joback Calculated Property |
| Tc | 860.30 | K | Joback Calculated Property |
| Tfus | 558.84 | K | Joback Calculated Property |
| Vc | 0.669 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [457.16; 517.80] | J/mol×K | [676.32; 860.30] |
|
| Cp,gas | 457.16 | J/mol×K | 676.32 | Joback Calculated Property |
| Cp,gas | 468.49 | J/mol×K | 706.98 | Joback Calculated Property |
| Cp,gas | 479.31 | J/mol×K | 737.65 | Joback Calculated Property |
| Cp,gas | 489.63 | J/mol×K | 768.31 | Joback Calculated Property |
| Cp,gas | 499.47 | J/mol×K | 798.97 | Joback Calculated Property |
| Cp,gas | 508.86 | J/mol×K | 829.63 | Joback Calculated Property |
| Cp,gas | 517.80 | J/mol×K | 860.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,7-Dodecadiyn-1,12-diol.
Sources
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