- InChI
- InChI=1S/C15H22O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h5-6,9-10,12,16H,7-8H2,1-4H3/t12-,15+/m1/s1
- InChI Key
- MTOMOICLIZNIAM-DOMZBBRYSA-N
- Formula
- C15H22O
- SMILES
- Cc1ccc2c(c1)C(C(C)C)CCC2(C)O
- Molecular Weight1
- 218.33
- 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 | 0.6264 | Relay (1.0) Calculated Property | |
| ΔfG° | 64.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -249.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.736 | Crippen Calculated Property | |
| McVol | 193.460 | ml/mol | McGowan Calculated Property |
| Pc | 2289.32 | kPa | Joback Calculated Property |
| Inp | [1667.00; 1678.00] |
|
|
| Inp | 1669.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1671.00 | NIST | |
| Inp | 1670.00 | NIST | |
| Inp | 1670.00 | NIST | |
| Inp | 1669.00 | NIST | |
| Inp | 1669.00 | NIST | |
| Inp | Outlier 1678.00 | NIST | |
| Inp | 1667.00 | NIST | |
| Tboil | 573.76 | K | Relay (1.0) Calculated Property |
| Tc | 805.80 | K | Relay (1.0) Calculated Property |
| Tfus | 351.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.697 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [546.94; 638.55] | J/mol×K | [677.56; 887.88] |
|
| Cp,gas | 546.94 | J/mol×K | 677.56 | Joback Calculated Property |
| Cp,gas | 563.77 | J/mol×K | 712.61 | Joback Calculated Property |
| Cp,gas | 579.80 | J/mol×K | 747.67 | Joback Calculated Property |
| Cp,gas | 595.17 | J/mol×K | 782.72 | Joback Calculated Property |
| Cp,gas | 610.00 | J/mol×K | 817.77 | Joback Calculated Property |
| Cp,gas | 624.42 | J/mol×K | 852.83 | Joback Calculated Property |
| Cp,gas | 638.55 | J/mol×K | 887.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-Calamenen-10-ol.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.