- InChI
- InChI=1S/C16H20/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h7,9,12,14H,1-6,8,10H2
- InChI Key
- MNXFZXVRYXNOBW-UHFFFAOYSA-N
- Formula
- C16H20
- SMILES
- c1cc2c3c4c1CCCC4CCC3CCC2
- Molecular Weight1
- 212.33
- CAS
- 14698-02-3
- ω : Acentric Factor.
- 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).
- 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 | 0.4718 | Relay (... Calculated Property | |
| ΔfG° | 345.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -26.67 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.01 | kJ/mol | Relay (... Calculated Property |
| IE | 8.03 | eV | Relay (... Calculated Property |
| log10WS | -5.83 | Relay (... Calculated Property | |
| logPoct/wat | 4.320 | Crippen Calculated Property | |
| McVol | 179.960 | ml/mol | McGowan Calculated Property |
| Pc | 2450.74 | kPa | Joback Calculated Property |
| Tboil | 608.28 | K | Relay (... Calculated Property |
| Tc | 855.18 | K | Relay (... Calculated Property |
| Tfus | 398.85 | K | Relay (... Calculated Property |
| Vc | 0.695 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [504.87; 610.65] | J/mol×K | [636.26; 878.71] | 
|
| Cp,gas | 504.87 | J/mol×K | 636.26 | Joback Calculated Property |
| Cp,gas | 525.86 | J/mol×K | 676.67 | Joback Calculated Property |
| Cp,gas | 545.29 | J/mol×K | 717.08 | Joback Calculated Property |
| Cp,gas | 563.31 | J/mol×K | 757.48 | Joback Calculated Property |
| Cp,gas | 580.10 | J/mol×K | 797.89 | Joback Calculated Property |
| Cp,gas | 595.82 | J/mol×K | 838.30 | Joback Calculated Property |
| Cp,gas | 610.65 | J/mol×K | 878.71 | Joback Calculated Property |
| η | [0.0014695; 0.0027078] | Pa×s | [388.60; 636.26] |
|
| η | 0.0027078 | Pa×s | 388.60 | Joback Calculated Property |
| η | 0.0023288 | Pa×s | 429.88 | Joback Calculated Property |
| η | 0.0020565 | Pa×s | 471.15 | Joback Calculated Property |
| η | 0.0018528 | Pa×s | 512.43 | Joback Calculated Property |
| η | 0.0016954 | Pa×s | 553.71 | Joback Calculated Property |
| η | 0.0015706 | Pa×s | 594.98 | Joback Calculated Property |
| η | 0.0014695 | Pa×s | 636.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3,3a,4,5,5a,6,7,8-Decahydropyrene.
Sources
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