![(1S,2R,5R)-2-Methyl-5-((R)-6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexan-2-ol](/cid/71-904-9/1S-2R-5R-2-Methyl-5-R-6-methylhept-5-en-2-yl-bicyclo-3-1-0-hexan-2-ol.png "(1S,2R,5R)-2-Methyl-5-((R)-6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexan-2-ol")
- InChI
- InChI=1S/C15H26O/c1-11(2)6-5-7-12(3)15-9-8-14(4,16)13(15)10-15/h6,12-13,16H,5,7-10H2,1-4H3
- InChI Key
- IRDFGGRWKUKANK-UHFFFAOYSA-N
- Formula
- C15H26O
- SMILES
- CC(C)=CCCC(C)C12CCC(C)(O)C1C2
- Molecular Weight1
- 222.37
- CAS
- 58319-05-4
- Other Names
-
- Bicyclo[3.1.0]hexan-2-ol, 5-[(1R)-1,5-dimethyl-4-hexen-1-yl]-2-methyl-, (1S,2R,5R)-
- Bicyclo[3.1.0]hexan-2-ol, 5-[(1R)-1,5-dimethyl-4-hexenyl]-2-methyl-, (1S,2R,5R)-
- cis-Sesquisabinene hydrate
- (Z)-«beta»-Sesquisabinene hydrate
- (Z)-sesquisabinenehydrate
- cis-Sesquisabinenhydrate
- Sesquisabinene hydrate (cis)
- Bicyclo[3.1.0]hexan-2-ol, 5-(1,5-dimethyl-4-hexen-1-yl)-2-methyl-, (1R,2R,5S)-rel-
- Bicyclo[3.1.0]hexan-2-ol, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, (1R,2R,5S)-rel-
- (E)-Sesquisabinene hydrate
- trans-Sesquisabinene hydrate
- 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 | 0.5585 | Relay (1.0) Calculated Property | |
| ΔfG° | 110.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -215.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.920 | Crippen Calculated Property | |
| McVol | 202.060 | ml/mol | McGowan Calculated Property |
| Pc | 2096.50 | kPa | Joback Calculated Property |
| Inp | [1521.00; 1602.00] |
|
|
| Inp | 1594.00 | NIST | |
| Inp | 1598.00 | NIST | |
| Inp | 1580.00 | NIST | |
| Inp | 1602.00 | NIST | |
| Inp | 1573.00 | NIST | |
| Inp | 1580.00 | NIST | |
| Inp | 1580.00 | NIST | |
| Inp | 1581.00 | NIST | |
| Inp | 1571.00 | NIST | |
| Inp | 1574.00 | NIST | |
| Inp | 1590.00 | NIST | |
| Inp | 1598.00 | NIST | |
| Inp | 1581.00 | NIST | |
| Inp | 1583.00 | NIST | |
| Inp | 1581.00 | NIST | |
| Inp | 1578.00 | NIST | |
| Inp | 1580.00 | NIST | |
| Inp | 1571.00 | NIST | |
| Inp | 1583.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1530.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1590.00 | NIST | |
| Inp | 1567.00 | NIST | |
| Inp | 1525.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Inp | 1536.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Inp | 1521.00 | NIST | |
| Inp | 1524.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1562.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1581.00 | NIST | |
| Inp | 1572.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1524.00 | NIST | |
| I | [2044.00; 2092.00] |
|
|
| I | 2092.00 | NIST | |
| I | 2044.00 | NIST | |
| I | 2088.00 | NIST | |
| I | 2075.00 | NIST | |
| I | 2088.00 | NIST | |
| Tboil | 545.89 | K | Relay (1.0) Calculated Property |
| Tc | 772.56 | K | Relay (1.0) Calculated Property |
| Tfus | 301.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.705 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [583.77; 679.97] | J/mol×K | [647.67; 844.14] |
|
| Cp,gas | 583.77 | J/mol×K | 647.67 | Joback Calculated Property |
| Cp,gas | 600.91 | J/mol×K | 680.41 | Joback Calculated Property |
| Cp,gas | 617.33 | J/mol×K | 713.16 | Joback Calculated Property |
| Cp,gas | 633.24 | J/mol×K | 745.90 | Joback Calculated Property |
| Cp,gas | 648.84 | J/mol×K | 778.65 | Joback Calculated Property |
| Cp,gas | 664.35 | J/mol×K | 811.39 | Joback Calculated Property |
| Cp,gas | 679.97 | J/mol×K | 844.14 | Joback Calculated Property |
Similar Compounds
Sources
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