- InChI
- InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2/i1D2,2D2,3D2
- InChI Key
- XDTMQSROBMDMFD-NMFSSPJFSA-N
- Formula
- C6H6D6
- SMILES
- C1CCCCC1
- Molecular Weight1
- 90.20
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | 31.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -92.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 2.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 29.69 | kJ/mol | Joback Calculated Property |
| log10WS | -2.23 | Crippen Calculated Property | |
| logPoct/wat | 2.341 | Crippen Calculated Property | |
| McVol | 84.540 | ml/mol | McGowan Calculated Property |
| Pc | 4130.29 | kPa | Joback Calculated Property |
| Inp | [688.00; 688.00] |
|
|
| Inp | 688.00 | NIST | |
| Inp | 688.00 | NIST | |
| Tboil | 360.90 | K | Joback Calculated Property |
| Tc | 565.41 | K | Joback Calculated Property |
| Tfus | 169.00 | K | Joback Calculated Property |
| Vc | 0.305 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [134.03; 211.71] | J/mol×K | [360.90; 565.41] |
|
| Cp,gas | 134.03 | J/mol×K | 360.90 | Joback Calculated Property |
| Cp,gas | 148.78 | J/mol×K | 394.98 | Joback Calculated Property |
| Cp,gas | 162.77 | J/mol×K | 429.07 | Joback Calculated Property |
| Cp,gas | 176.04 | J/mol×K | 463.15 | Joback Calculated Property |
| Cp,gas | 188.60 | J/mol×K | 497.24 | Joback Calculated Property |
| Cp,gas | 200.49 | J/mol×K | 531.32 | Joback Calculated Property |
| Cp,gas | 211.71 | J/mol×K | 565.41 | Joback Calculated Property |
| η | [0.0003032; 0.0153533] | Pa×s | [169.00; 360.90] |
|
| η | 0.0153533 | Pa×s | 169.00 | Joback Calculated Property |
| η | 0.0047435 | Pa×s | 200.98 | Joback Calculated Property |
| η | 0.0020233 | Pa×s | 232.97 | Joback Calculated Property |
| η | 0.0010601 | Pa×s | 264.95 | Joback Calculated Property |
| η | 0.0006385 | Pa×s | 296.93 | Joback Calculated Property |
| η | 0.0004244 | Pa×s | 328.92 | Joback Calculated Property |
| η | 0.0003032 | Pa×s | 360.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hephane-d16.
Sources
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