![Tricyclo[4.4.0.0(2,7)]dec-8-ene-3-methanol, «alpha»,«alpha»,6,8-tetramethyl-, stereoisomer](/cid/16-806-9/Tricyclo-4-4-0-0-2-7-dec-8-ene-3-methanol-alpha-alpha-6-8-tetramethyl-stereoisomer.png "Tricyclo[4.4.0.0(2,7)]dec-8-ene-3-methanol, «alpha»,«alpha»,6,8-tetramethyl-, stereoisomer")
- InChI
- InChI=1S/C15H24O/c1-9-5-6-11-12-10(14(2,3)16)7-8-15(11,4)13(9)12/h5,10-13,16H,6-8H2,1-4H3
- InChI Key
- IKIHFZGZEWTHEQ-UHFFFAOYSA-N
- Formula
- C15H24O
- SMILES
-
CC1=CCC2C3C(C(C)(C)O)CCC2(C)C1
3 - Molecular Weight1
- 220.35
- CAS
- 41370-56-3
- Other Names
-
- «alpha»-Copaen-11-ol
- Tricyclo[4.4.0.0(2,7)]dec-8-ene-5-methanol, «alpha»,«alpha»,2,8-tetramethyl-, stereoisomer
- «alpha»-Copaene-11-ol
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5392 | Relay (... Calculated Property | |
| ΔfG° | 111.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -221.53 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.53 | kJ/mol | Relay (... Calculated Property |
| IE | 8.36 | eV | Relay (... Calculated Property |
| log10WS | -3.96 | Relay (... Calculated Property | |
| logPoct/wat | 3.386 | Crippen Calculated Property | |
| McVol | 191.200 | ml/mol | McGowan Calculated Property |
| Pc | 2200.01 | kPa | Joback Calculated Property |
| Inp | [1535.00; 1549.00] |
|
|
| Inp | 1535.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1547.60 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1549.00 | NIST | |
| Inp | 1539.00 | NIST | |
| I | [2023.00; 2109.00] |
|
|
| I | 2065.00 | NIST | |
| I | 2065.00 | NIST | |
| I | 2109.00 | NIST | |
| I | 2065.00 | NIST | |
| I | 2023.00 | NIST | |
| I | 2065.00 | NIST | |
| Tboil | 542.64 | K | Relay (... Calculated Property |
| Tc | 814.83 | K | Relay (... Calculated Property |
| Tfus | 334.01 | K | Relay (... Calculated Property |
| Vc | 0.677 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [578.16; 677.19] | J/mol×K | [651.08; 857.47] |
|
| Cp,gas | 578.16 | J/mol×K | 651.08 | Joback Calculated Property |
| Cp,gas | 596.62 | J/mol×K | 685.48 | Joback Calculated Property |
| Cp,gas | 614.07 | J/mol×K | 719.88 | Joback Calculated Property |
| Cp,gas | 630.66 | J/mol×K | 754.28 | Joback Calculated Property |
| Cp,gas | 646.60 | J/mol×K | 788.67 | Joback Calculated Property |
| Cp,gas | 662.05 | J/mol×K | 823.07 | Joback Calculated Property |
| Cp,gas | 677.19 | J/mol×K | 857.47 | Joback Calculated Property |
Similar Compounds
Sources
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