- InChI
- InChI=1S/C15H26O/c1-12(2)14-8-7-13(3)6-5-10-15(4,16)11-9-14/h6,9,11-12,14,16H,5,7-8,10H2,1-4H3/b11-9+,13-6+
- InChI Key
- RHCTXHCNRLCYBN-BMCYRRRCSA-N
- Formula
- C15H26O
- SMILES
- CC1=CCCC(C)(O)C=CC(C(C)C)CC1
- Molecular Weight1
- 222.37
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -50.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -381.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.18 | kJ/mol | Joback Calculated Property |
| log10WS | -4.60 | Crippen Calculated Property | |
| logPoct/wat | 4.086 | Crippen Calculated Property | |
| McVol | 208.620 | ml/mol | McGowan Calculated Property |
| Pc | 2096.50 | kPa | Joback Calculated Property |
| Inp | 1626.90 | NIST | |
| Tboil | 669.84 | K | Joback Calculated Property |
| Tc | 882.46 | K | Joback Calculated Property |
| Tfus | 331.63 | K | Joback Calculated Property |
| Vc | 0.758 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [595.33; 704.06] | J/mol×K | [669.84; 882.46] | 
|
| Cp,gas | 595.33 | J/mol×K | 669.84 | Joback Calculated Property |
| Cp,gas | 615.86 | J/mol×K | 705.28 | Joback Calculated Property |
| Cp,gas | 635.31 | J/mol×K | 740.71 | Joback Calculated Property |
| Cp,gas | 653.77 | J/mol×K | 776.15 | Joback Calculated Property |
| Cp,gas | 671.33 | J/mol×K | 811.58 | Joback Calculated Property |
| Cp,gas | 688.06 | J/mol×K | 847.02 | Joback Calculated Property |
| Cp,gas | 704.06 | J/mol×K | 882.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Unknown Black Pepper Gremacrene-D-4-ol isomer RI 1627.
Sources
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