![(1aR,4S,7R,7aS,7bR)-1,1,4,7-Tetramethyl-1a,2,3,4,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulen-4-ol](/cid/76-471-5/1aR-4S-7R-7aS-7bR-1-1-4-7-Tetramethyl-1a-2-3-4-6-7-7a-7b-octahydro-1H-cyclopropa-e-azulen-4-ol.png "(1aR,4S,7R,7aS,7bR)-1,1,4,7-Tetramethyl-1a,2,3,4,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulen-4-ol")
- InChI
- InChI=1S/C15H24O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h6,9,11-13,16H,5,7-8H2,1-4H3
- InChI Key
- RMMXVRYYNCFLLS-UHFFFAOYSA-N
- Formula
- C15H24O
- SMILES
- CC1CC=C2C1C1C(CCC2(C)O)C1(C)C
- Molecular Weight1
- 220.35
- CAS
- 63181-42-0
- 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 | 0.4969 | Relay (1.0) Calculated Property | |
| ΔfG° | 82.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -254.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.386 | Crippen Calculated Property | |
| McVol | 191.200 | ml/mol | McGowan Calculated Property |
| Pc | 2237.64 | kPa | Joback Calculated Property |
| Inp | [1577.30; 1577.30] |
|
|
| Inp | 1577.30 | NIST | |
| Inp | 1577.30 | NIST | |
| Tboil | 537.12 | K | Relay (1.0) Calculated Property |
| Tc | 803.94 | K | Relay (1.0) Calculated Property |
| Tfus | 365.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.690 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [576.39; 682.13] | J/mol×K | [654.15; 862.88] |
|
| Cp,gas | 576.39 | J/mol×K | 654.15 | Joback Calculated Property |
| Cp,gas | 595.29 | J/mol×K | 688.94 | Joback Calculated Property |
| Cp,gas | 613.37 | J/mol×K | 723.73 | Joback Calculated Property |
| Cp,gas | 630.87 | J/mol×K | 758.52 | Joback Calculated Property |
| Cp,gas | 648.01 | J/mol×K | 793.31 | Joback Calculated Property |
| Cp,gas | 665.02 | J/mol×K | 828.10 | Joback Calculated Property |
| Cp,gas | 682.13 | J/mol×K | 862.88 | Joback Calculated Property |
Similar Compounds
Sources
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