- InChI
- InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)10-11-15(4,16)9-6-12(13)14/h6,16H,5,7-11H2,1-4H3/t14?,15-/m0/s1
- InChI Key
- BXGVVQADPFXGHD-LOACHALJSA-N
- Formula
- C15H26O
- SMILES
- CC1(O)CC=C2C(C)(C)CCCC2(C)CC1
- Molecular Weight1
- 222.37
- CAS
- 6892-80-4
- Other Names
-
- 1H-Benzocyclohepten-7-ol, 2,3,4,4a,5,6,7,8-octahydro-1,1,4a«alpha»,7«beta»-tetramethyl-
- Widdrol
- 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.
- I : 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° | -4.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -318.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.54 | kJ/mol | Joback Calculated Property |
| log10WS | -4.64 | Crippen Calculated Property | |
| logPoct/wat | 4.064 | Crippen Calculated Property | |
| McVol | 202.060 | ml/mol | McGowan Calculated Property |
| Pc | 2361.07 | kPa | Joback Calculated Property |
| Inp | [1570.00; 1651.00] |
|
|
| Inp | 1616.60 | NIST | |
| Inp | Outlier 1651.00 | NIST | |
| Inp | 1618.00 | NIST | |
| Inp | Outlier 1651.00 | NIST | |
| Inp | 1592.00 | NIST | |
| Inp | 1630.00 | NIST | |
| Inp | 1602.00 | NIST | |
| Inp | 1597.00 | NIST | |
| Inp | 1592.00 | NIST | |
| Inp | 1613.00 | NIST | |
| Inp | 1606.00 | NIST | |
| Inp | 1610.00 | NIST | |
| Inp | 1570.00 | NIST | |
| Inp | 1596.00 | NIST | |
| Inp | 1587.00 | NIST | |
| Inp | 1587.00 | NIST | |
| Inp | 1587.00 | NIST | |
| I | [2178.00; 2179.00] |
|
|
| I | 2179.00 | NIST | |
| I | 2178.00 | NIST | |
| I | 2179.00 | NIST | |
| Tboil | 669.80 | K | Joback Calculated Property |
| Tc | 892.10 | K | Joback Calculated Property |
| Tfus | 418.65 | K | Joback Calculated Property |
| Vc | 0.748 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [590.96; 708.53] | J/mol×K | [669.80; 892.10] |
|
| Cp,gas | 590.96 | J/mol×K | 669.80 | Joback Calculated Property |
| Cp,gas | 610.99 | J/mol×K | 706.85 | Joback Calculated Property |
| Cp,gas | 630.41 | J/mol×K | 743.90 | Joback Calculated Property |
| Cp,gas | 649.54 | J/mol×K | 780.95 | Joback Calculated Property |
| Cp,gas | 668.73 | J/mol×K | 818.00 | Joback Calculated Property |
| Cp,gas | 688.28 | J/mol×K | 855.05 | Joback Calculated Property |
| Cp,gas | 708.53 | J/mol×K | 892.10 | Joback Calculated Property |
Similar Compounds
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.