![3,5,5,9-Tetramethyl-4a,5,6,7,8,9-hexahydro-2H-benzo[7]annulene](/cid/75-065-7/3-5-5-9-Tetramethyl-4a-5-6-7-8-9-hexahydro-2H-benzo-7-annulene.png "3,5,5,9-Tetramethyl-4a,5,6,7,8,9-hexahydro-2H-benzo[7]annulene")
- InChI
- InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h8,10,12,14H,5-7,9H2,1-4H3
- InChI Key
- SAFQUMPAIPHJTI-UHFFFAOYSA-N
- Formula
- C15H24
- SMILES
- CC1=CC2C(=CC1)C(C)CCCC2(C)C
- Molecular Weight1
- 204.35
- 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° | 163.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.12 | kJ/mol | Joback Calculated Property |
| log10WS | -4.87 | Crippen Calculated Property | |
| logPoct/wat | 4.725 | Crippen Calculated Property | |
| McVol | 191.890 | ml/mol | McGowan Calculated Property |
| Pc | 2030.89 | kPa | Joback Calculated Property |
| Inp | 1491.00 | NIST | |
| Tboil | 581.28 | K | Joback Calculated Property |
| Tc | 808.29 | K | Joback Calculated Property |
| Tfus | 323.31 | K | Joback Calculated Property |
| Vc | 0.719 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [503.31; 624.78] | J/mol×K | [581.28; 808.29] | 
|
| Cp,gas | 503.31 | J/mol×K | 581.28 | Joback Calculated Property |
| Cp,gas | 526.59 | J/mol×K | 619.11 | Joback Calculated Property |
| Cp,gas | 548.47 | J/mol×K | 656.95 | Joback Calculated Property |
| Cp,gas | 569.08 | J/mol×K | 694.78 | Joback Calculated Property |
| Cp,gas | 588.58 | J/mol×K | 732.62 | Joback Calculated Property |
| Cp,gas | 607.10 | J/mol×K | 770.45 | Joback Calculated Property |
| Cp,gas | 624.78 | J/mol×K | 808.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5,5,9-Tetramethyl-4a,5,6,7,8,9-hexahydro-2H-benzo[7]annulene.
Sources
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