- InChI
- InChI=1S/C21H30/c1-19(2)10-7-13-14-8-11-20(3,4)17(14)18-15(16(13)19)9-12-21(18,5)6/h7-12H2,1-6H3
- InChI Key
- PYBVWXXGQXNHDK-UHFFFAOYSA-N
- Formula
- C21H30
- SMILES
-
CC1(C)CCc2c3c(c4c(c21)CCC4(C)C
)C(C)(C)CC3 - Molecular Weight1
- 282.46
- CAS
- 55682-87-6
- 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).
- 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° | 355.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -33.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.21 | kJ/mol | Joback Calculated Property |
| log10WS | -6.25 | Crippen Calculated Property | |
| logPoct/wat | 5.358 | Crippen Calculated Property | |
| McVol | 250.410 | ml/mol | McGowan Calculated Property |
| Pc | 1661.90 | kPa | Joback Calculated Property |
| Tboil | 752.40 | K | Joback Calculated Property |
| Tc | 990.72 | K | Joback Calculated Property |
| Tfus | 382.00 ± 4.00 | K | NIST |
| Vc | 0.969 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [768.50; 922.87] | J/mol×K | [752.40; 990.72] | 
|
| Cp,gas | 768.50 | J/mol×K | 752.40 | Joback Calculated Property |
| Cp,gas | 791.84 | J/mol×K | 792.12 | Joback Calculated Property |
| Cp,gas | 815.46 | J/mol×K | 831.84 | Joback Calculated Property |
| Cp,gas | 839.88 | J/mol×K | 871.56 | Joback Calculated Property |
| Cp,gas | 865.59 | J/mol×K | 911.28 | Joback Calculated Property |
| Cp,gas | 893.08 | J/mol×K | 951.00 | Joback Calculated Property |
| Cp,gas | 922.87 | J/mol×K | 990.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Trindene, 2,3,4,5,6,7,8,9-octahydro-1,1,4,4,9,9-hexamethyl-.
Sources
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