![Bicyclo[3.1.1]heptane-2-methanol, 6,6-dimethyl-, [1S-(1«alpha»,2«alpha»,5«alpha»)]-](/cid/71-362-1/Bicyclo-3-1-1-heptane-2-methanol-6-6-dimethyl-1S-1-alpha-2-alpha-5-alpha.png "Bicyclo[3.1.1]heptane-2-methanol, 6,6-dimethyl-, [1S-(1«alpha»,2«alpha»,5«alpha»)]-")
- InChI
- InChI=1S/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3/t7-,8+,9+/m1/s1
- InChI Key
- LDWAIHWGMRVEFR-VGMNWLOBSA-N
- Formula
- C10H18O
- SMILES
- CC1(C)C2CCC(CO)C1C2
- Molecular Weight1
- 154.25
- CAS
- 53369-17-8
- Other Names
-
- (1S,2S,5S)-(-)-Myrtanol
- (-)-trans-Myrtanol
- (6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methanol, [1S-(1«alpha»,2«alpha»,5«alpha»)]-
- [1S-(1«alpha»,2«alpha»,5«alpha»)]-6,6-dimethylbicyclo[3.1.1]heptane-2-methanol
- trans-Myrtanol
- 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 | 0.5156 | Relay (1.0) Calculated Property | |
| ΔfG° | -15.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.051 | Crippen Calculated Property | |
| McVol | 135.910 | ml/mol | McGowan Calculated Property |
| Pc | 3012.33 | kPa | Joback Calculated Property |
| Inp | [1232.00; 1264.00] |
|
|
| Inp | 1258.00 | NIST | |
| Inp | 1232.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1264.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1232.00 | NIST | |
| Inp | 1258.00 | NIST | |
| I | [1856.00; 1868.00] |
|
|
| I | 1868.00 | NIST | |
| I | 1856.00 | NIST | |
| Tboil | 496.11 | K | Relay (1.0) Calculated Property |
| Tc | 762.01 | K | Relay (1.0) Calculated Property |
| Tfus | 387.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.447 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [354.68; 438.56] | J/mol×K | [529.03; 722.31] |
|
| Cp,gas | 354.68 | J/mol×K | 529.03 | Joback Calculated Property |
| Cp,gas | 370.78 | J/mol×K | 561.24 | Joback Calculated Property |
| Cp,gas | 385.90 | J/mol×K | 593.46 | Joback Calculated Property |
| Cp,gas | 400.13 | J/mol×K | 625.67 | Joback Calculated Property |
| Cp,gas | 413.58 | J/mol×K | 657.88 | Joback Calculated Property |
| Cp,gas | 426.35 | J/mol×K | 690.10 | Joback Calculated Property |
| Cp,gas | 438.56 | J/mol×K | 722.31 | Joback Calculated Property |
Similar Compounds
Sources
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