- InChI
- InChI=1S/C12H18/c1-5-6-7-8-9-10-11-12(2,3)4/h5-7H2,1-4H3
- InChI Key
- WSWDDRDGHVGAMT-UHFFFAOYSA-N
- Formula
- C12H18
- SMILES
- CCCCC#CC#CC(C)(C)C
- Molecular Weight1
- 162.27
- CAS
- 55682-73-0
- 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 | 0.2350 | Relay (1.0) Calculated Property | |
| ΔfG° | 458.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 275.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.229 | Crippen Calculated Property | |
| McVol | 162.740 | ml/mol | McGowan Calculated Property |
| Pc | 2424.27 | kPa | Joback Calculated Property |
| Tboil | 446.35 | K | Relay (1.0) Calculated Property |
| Tc | 608.74 | K | Relay (1.0) Calculated Property |
| Tfus | 213.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.599 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [348.32; 437.46] | J/mol×K | [488.73; 707.29] | 
|
| Cp,gas | 348.32 | J/mol×K | 488.73 | Joback Calculated Property |
| Cp,gas | 365.42 | J/mol×K | 525.16 | Joback Calculated Property |
| Cp,gas | 381.56 | J/mol×K | 561.58 | Joback Calculated Property |
| Cp,gas | 396.79 | J/mol×K | 598.01 | Joback Calculated Property |
| Cp,gas | 411.15 | J/mol×K | 634.43 | Joback Calculated Property |
| Cp,gas | 424.69 | J/mol×K | 670.86 | Joback Calculated Property |
| Cp,gas | 437.46 | J/mol×K | 707.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Decadiyne, 2,2-dimethyl-.
Sources
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