- InChI
- InChI=1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3/b12-8+,13-7-
- InChI Key
- CAULGCQHVOVVRN-UPAULDTKSA-N
- Formula
- C15H22O
- SMILES
- CC1=CCC(=C(C)C)C(=O)CC(C)=CCC1
- 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 | 0.3255 | Relay (... Calculated Property | |
| ΔfG° | 14.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -114.25 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.59 | kJ/mol | Relay (... Calculated Property |
| IE | 8.14 | eV | Relay (... Calculated Property |
| log10WS | -3.61 | Relay (... Calculated Property | |
| logPoct/wat | 4.359 | Crippen Calculated Property | |
| McVol | 200.020 | ml/mol | McGowan Calculated Property |
| Pc | 2049.31 | kPa | Joback Calculated Property |
| Inp | [1705.00; 1705.00] |
|
|
| Inp | 1705.00 | NIST | |
| Inp | 1705.00 | NIST | |
| Inp | 1705.00 | NIST | |
| Tboil | 576.90 | K | Relay (... Calculated Property |
| Tc | 770.00 | K | Relay (... Calculated Property |
| Tfus | 329.90 | K | Relay (... Calculated Property |
| Vc | 0.644 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [539.74; 648.08] | J/mol×K | [666.52; 907.31] |
|
| Cp,gas | 539.74 | J/mol×K | 666.52 | Joback Calculated Property |
| Cp,gas | 561.51 | J/mol×K | 706.65 | Joback Calculated Property |
| Cp,gas | 581.83 | J/mol×K | 746.78 | Joback Calculated Property |
| Cp,gas | 600.67 | J/mol×K | 786.92 | Joback Calculated Property |
| Cp,gas | 618.01 | J/mol×K | 827.05 | Joback Calculated Property |
| Cp,gas | 633.82 | J/mol×K | 867.18 | Joback Calculated Property |
| Cp,gas | 648.08 | J/mol×K | 907.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Germacrol.
Sources
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