- InChI
- InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h11-13H,1,5-8H2,2-4H3
- InChI Key
- CKTOECQMCPFOEU-UHFFFAOYSA-N
- Formula
- C15H22O
- SMILES
-
C=C(C)C1CCC(C)=C2C(=O)CC(C)C2C
1 - 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 | 0.3922 | Relay (1.0) Calculated Property | |
| ΔfG° | 108.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -185.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.904 | Crippen Calculated Property | |
| McVol | 193.460 | ml/mol | McGowan Calculated Property |
| Pc | 1987.66 | kPa | Joback Calculated Property |
| Inp | 1752.00 | NIST | |
| Tboil | 581.45 | K | Relay (1.0) Calculated Property |
| Tc | 791.32 | K | Relay (1.0) Calculated Property |
| Tfus | 328.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.655 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [543.27; 656.12] | J/mol×K | [641.99; 871.82] | 
|
| Cp,gas | 543.27 | J/mol×K | 641.99 | Joback Calculated Property |
| Cp,gas | 565.40 | J/mol×K | 680.30 | Joback Calculated Property |
| Cp,gas | 586.17 | J/mol×K | 718.60 | Joback Calculated Property |
| Cp,gas | 605.60 | J/mol×K | 756.91 | Joback Calculated Property |
| Cp,gas | 623.72 | J/mol×K | 795.21 | Joback Calculated Property |
| Cp,gas | 640.55 | J/mol×K | 833.52 | Joback Calculated Property |
| Cp,gas | 656.12 | J/mol×K | 871.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Guaja-1(10),11-dien-9-one.
Sources
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