- InChI
- InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14?,15-/m0/s1
- InChI Key
- COGPRPSWSKLKTF-NZATWWQASA-N
- Formula
- C15H26O
- SMILES
- CC1=CC2C(C(C)C)CCC(C)C2(O)CC1
- Molecular Weight1
- 222.37
- CAS
- 73365-77-2
- Other Names
-
- 1-10-epi-Cubenol
- Cubenol (1,10 di-epi)
- Cubenol (1,10 di-epi-)
- 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 | 0.4914 | Relay (1.0) Calculated Property | |
| ΔfG° | 8.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -274.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.776 | Crippen Calculated Property | |
| McVol | 202.060 | ml/mol | McGowan Calculated Property |
| Pc | 2069.88 | kPa | Joback Calculated Property |
| Inp | [1579.00; 1636.20] |
|
|
| Inp | 1618.00 | NIST | |
| Inp | 1623.00 | NIST | |
| Inp | Outlier 1591.00 | NIST | |
| Inp | Outlier 1589.00 | NIST | |
| Inp | Outlier 1590.00 | NIST | |
| Inp | 1613.00 | NIST | |
| Inp | 1613.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Inp | 1612.00 | NIST | |
| Inp | 1607.00 | NIST | |
| Inp | 1612.00 | NIST | |
| Inp | 1602.00 | NIST | |
| Inp | 1619.00 | NIST | |
| Inp | 1610.00 | NIST | |
| Inp | 1617.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1617.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1607.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Inp | 1599.00 | NIST | |
| Inp | Outlier 1636.20 | NIST | |
| Inp | 1618.00 | NIST | |
| Inp | 1612.00 | NIST | |
| Inp | 1618.00 | NIST | |
| Inp | 1612.00 | NIST | |
| Inp | 1623.00 | NIST | |
| Inp | 1618.00 | NIST | |
| Inp | 1610.00 | NIST | |
| Inp | 1610.00 | NIST | |
| Inp | 1625.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1630.00 | NIST | |
| Inp | 1593.00 | NIST | |
| Inp | 1619.00 | NIST | |
| Inp | Outlier 1633.00 | NIST | |
| Inp | 1596.00 | NIST | |
| Inp | 1606.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1608.00 | NIST | |
| Inp | 1621.00 | NIST | |
| Inp | 1607.00 | NIST | |
| Inp | 1613.00 | NIST | |
| Inp | 1605.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Inp | 1605.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1611.00 | NIST | |
| Inp | 1613.00 | NIST | |
| Inp | 1618.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Inp | Outlier 1592.00 | NIST | |
| Inp | 1609.00 | NIST | |
| Inp | 1605.00 | NIST | |
| Inp | Outlier 1587.00 | NIST | |
| Inp | 1623.00 | NIST | |
| Inp | 1611.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1610.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | Outlier 1592.00 | NIST | |
| Inp | 1600.00 | NIST | |
| Inp | 1615.00 | NIST | |
| Inp | 1611.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1607.00 | NIST | |
| Inp | Outlier 1579.00 | NIST | |
| Inp | 1615.00 | NIST | |
| Inp | 1609.00 | NIST | |
| Inp | 1608.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1619.00 | NIST | |
| Inp | 1619.00 | NIST | |
| Inp | 1621.00 | NIST | |
| Inp | 1619.00 | NIST | |
| Inp | 1612.00 | NIST | |
| Inp | 1613.00 | NIST | |
| Inp | 1612.00 | NIST | |
| Inp | 1617.00 | NIST | |
| Inp | 1619.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1619.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Inp | 1612.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Inp | Outlier 1592.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1610.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1605.00 | NIST | |
| I | [2022.00; 2074.00] |
|
|
| I | 2054.00 | NIST | |
| I | 2054.00 | NIST | |
| I | 2057.00 | NIST | |
| I | 2054.00 | NIST | |
| I | 2037.00 | NIST | |
| I | 2022.00 | NIST | |
| I | 2056.00 | NIST | |
| I | 2037.00 | NIST | |
| I | 2074.00 | NIST | |
| Tboil | 548.10 | K | Relay (1.0) Calculated Property |
| Tc | 774.41 | K | Relay (1.0) Calculated Property |
| Tfus | 322.24 | 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 | [597.80; 704.93] | J/mol×K | [659.94; 865.11] |
|
| Cp,gas | 597.80 | J/mol×K | 659.94 | Joback Calculated Property |
| Cp,gas | 617.79 | J/mol×K | 694.13 | Joback Calculated Property |
| Cp,gas | 636.77 | J/mol×K | 728.33 | Joback Calculated Property |
| Cp,gas | 654.86 | J/mol×K | 762.52 | Joback Calculated Property |
| Cp,gas | 672.18 | J/mol×K | 796.72 | Joback Calculated Property |
| Cp,gas | 688.83 | J/mol×K | 830.91 | Joback Calculated Property |
| Cp,gas | 704.93 | J/mol×K | 865.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,10-di-epi-Cubenol.
Sources
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