![(5a«alpha»,9a«alpha»)-4,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethylnaphtho[1,2-c]furan-1(3H)-one (isodrimenin)](/cid/93-003-5/5a-alpha-9a-alpha-4-5-5a-6-7-8-9-9a-octahydro-6-6-9a-trimethylnaphtho-1-2-c-furan-1-3H-one-isodrimenin.png "(5a«alpha»,9a«alpha»)-4,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethylnaphtho[1,2-c]furan-1(3H)-one (isodrimenin)")
- InChI
- InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11(14)6-5-10-9-17-13(16)12(10)15/h11H,4-9H2,1-3H3
- InChI Key
- MEGPFBRAROUGQD-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
-
CC1(C)CCCC2(C)C3=C(CCC12)COC3=
O - Molecular Weight1
- 234.33
- CAS
- 36506-91-9
- Other Names
-
- Isodrimenin
- 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.
- 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 | 0.4181 | Relay (1.0) Calculated Property | |
| ΔfG° | 0.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -377.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.466 | Crippen Calculated Property | |
| McVol | 192.770 | ml/mol | McGowan Calculated Property |
| Pc | 2388.85 | kPa | Joback Calculated Property |
| Inp | [1997.00; 1997.00] |
|
|
| Inp | 1997.00 | NIST | |
| Inp | 1997.00 | NIST | |
| Tboil | 595.76 | K | Relay (1.0) Calculated Property |
| Tc | 837.35 | K | Relay (1.0) Calculated Property |
| Tfus | 436.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.676 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [577.41; 701.77] | J/mol×K | [684.27; 935.98] |
|
| Cp,gas | 577.41 | J/mol×K | 684.27 | Joback Calculated Property |
| Cp,gas | 599.11 | J/mol×K | 726.22 | Joback Calculated Property |
| Cp,gas | 619.96 | J/mol×K | 768.17 | Joback Calculated Property |
| Cp,gas | 640.32 | J/mol×K | 810.12 | Joback Calculated Property |
| Cp,gas | 660.51 | J/mol×K | 852.08 | Joback Calculated Property |
| Cp,gas | 680.88 | J/mol×K | 894.03 | Joback Calculated Property |
| Cp,gas | 701.77 | J/mol×K | 935.98 | Joback Calculated Property |
Similar Compounds
Sources
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