- InChI
- InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h10-12,16H,5-9H2,1-4H3/t11-,12-,15+/m0/s1
- InChI Key
- SRHDLIDOZXPROB-SLEUVZQESA-N
- Formula
- C15H26O
- SMILES
- CC1CCCC2(C)CCC(C(C)(C)O)C=C12
- Molecular Weight1
- 222.37
- 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 | 0.5322 | Relay (1.0) Calculated Property | |
| ΔfG° | 21.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -351.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.920 | Crippen Calculated Property | |
| McVol | 202.060 | ml/mol | McGowan Calculated Property |
| Pc | 2155.30 | kPa | Joback Calculated Property |
| Inp | [1599.00; 1615.00] |
|
|
| Inp | 1603.00 | NIST | |
| Inp | Outlier 1615.00 | NIST | |
| Inp | 1602.00 | NIST | |
| Inp | 1599.00 | NIST | |
| Inp | 1599.00 | NIST | |
| Inp | 1599.00 | NIST | |
| Inp | 1599.00 | NIST | |
| I | [2133.00; 2144.00] |
|
|
| I | 2144.00 | NIST | |
| I | Outlier 2133.00 | NIST | |
| I | 2144.00 | NIST | |
| I | 2144.00 | NIST | |
| I | 2144.00 | NIST | |
| I | 2144.00 | NIST | |
| Tboil | 549.17 | K | Relay (1.0) Calculated Property |
| Tc | 783.30 | K | Relay (1.0) Calculated Property |
| Tfus | 374.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.718 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [598.13; 704.35] | J/mol×K | [661.82; 874.07] |
|
| Cp,gas | 598.13 | J/mol×K | 661.82 | Joback Calculated Property |
| Cp,gas | 618.08 | J/mol×K | 697.19 | Joback Calculated Property |
| Cp,gas | 636.92 | J/mol×K | 732.57 | Joback Calculated Property |
| Cp,gas | 654.81 | J/mol×K | 767.94 | Joback Calculated Property |
| Cp,gas | 671.91 | J/mol×K | 803.32 | Joback Calculated Property |
| Cp,gas | 688.38 | J/mol×K | 838.69 | Joback Calculated Property |
| Cp,gas | 704.35 | J/mol×K | 874.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Rosifoliol.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.