- InChI
- InChI=1S/C19H32O2/c1-14(2)19-10-9-15(3)7-6-8-16(4)13-17(20)18(5,21-19)11-12-19/h8-9,14,17,20H,6-7,10-13H2,1-5H3/b15-9-,16-8+/t17-,18-,19-/m0/s1
- InChI Key
- WISFQNFBBZKQNS-VAJCHKISSA-N
- Formula
- C20H34O2
- SMILES
-
CC1=CCC2(C(C)C)CCC(C)(O2)C(O)C
C(C)=CCC1 - Molecular Weight1
- 306.48
- CAS
- 22419-74-5
- 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° | -69.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -525.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.19 | kJ/mol | Joback Calculated Property |
| log10WS | -5.72 | Crippen Calculated Property | |
| logPoct/wat | 4.778 | Crippen Calculated Property | |
| McVol | 259.990 | ml/mol | McGowan Calculated Property |
| Pc | 1747.74 | kPa | Joback Calculated Property |
| Inp | [2150.00; 2184.30] |
|
|
| Inp | 2184.30 | NIST | |
| Inp | 2158.00 | NIST | |
| Inp | 2150.00 | NIST | |
| Inp | 2158.00 | NIST | |
| Tboil | 804.54 | K | Joback Calculated Property |
| Tc | 1028.60 | K | Joback Calculated Property |
| Tfus | 454.12 | K | Joback Calculated Property |
| Vc | 0.951 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [847.44; 982.02] | J/mol×K | [804.54; 1028.60] |
|
| Cp,gas | 847.44 | J/mol×K | 804.54 | Joback Calculated Property |
| Cp,gas | 870.38 | J/mol×K | 841.88 | Joback Calculated Property |
| Cp,gas | 892.82 | J/mol×K | 879.23 | Joback Calculated Property |
| Cp,gas | 914.99 | J/mol×K | 916.57 | Joback Calculated Property |
| Cp,gas | 937.10 | J/mol×K | 953.91 | Joback Calculated Property |
| Cp,gas | 959.37 | J/mol×K | 991.25 | Joback Calculated Property |
| Cp,gas | 982.02 | J/mol×K | 1028.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Incensole.
Sources
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