- InChI
- InChI=1S/C20H34O3/c1-14(2)20-12-11-18(4,23-20)16(21)9-8-15(3)7-6-10-19(5)17(13-20)22-19/h7,14,16-17,21H,6,8-13H2,1-5H3/b15-7-
- InChI Key
- ARTVDMKLQDTMGX-CHHVJCJISA-N
- Formula
- C20H34O3
- SMILES
-
CC1=CCCC2(C)OC2CC2(C(C)C)CCC(C
)(O2)C(O)C1 - Molecular Weight1
- 322.48
- CAS
- 21698-66-8
- Other Names
-
- 1-Isopropyl-5,9,13-trimethyl-4,16-dioxatricyclo[11.2.1.03,5]hexadec-8-en-12-ol
- 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° | -104.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -624.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.85 | kJ/mol | Joback Calculated Property |
| log10WS | -5.07 | Crippen Calculated Property | |
| logPoct/wat | 3.989 | Crippen Calculated Property | |
| McVol | 259.300 | ml/mol | McGowan Calculated Property |
| Pc | 1841.99 | kPa | Joback Calculated Property |
| Inp | [2241.00; 2294.20] |
|
|
| Inp | 2294.20 | NIST | |
| Inp | 2241.00 | NIST | |
| Tboil | 821.12 | K | Joback Calculated Property |
| Tc | 1047.97 | K | Joback Calculated Property |
| Tfus | 512.05 | K | Joback Calculated Property |
| Vc | 0.956 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [885.77; 1046.75] | J/mol×K | [821.12; 1047.97] |
|
| Cp,gas | 885.77 | J/mol×K | 821.12 | Joback Calculated Property |
| Cp,gas | 910.38 | J/mol×K | 858.93 | Joback Calculated Property |
| Cp,gas | 935.38 | J/mol×K | 896.74 | Joback Calculated Property |
| Cp,gas | 961.15 | J/mol×K | 934.54 | Joback Calculated Property |
| Cp,gas | 988.05 | J/mol×K | 972.35 | Joback Calculated Property |
| Cp,gas | 1016.46 | J/mol×K | 1010.16 | Joback Calculated Property |
| Cp,gas | 1046.75 | J/mol×K | 1047.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Incensole oxide.
Sources
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