- InChI
- InChI=1S/C15H20O/c1-10-5-6-13-11(9-10)12-7-8-15(13,4)16-14(12,2)3/h5-6,9,12H,7-8H2,1-4H3/t12?,15-/m0/s1
- InChI Key
- RWNMGACJGXHHHN-CVRLYYSRSA-N
- Formula
- C15H20O
- SMILES
- Cc1ccc2c(c1)C1CCC2(C)OC1(C)C
- Molecular Weight1
- 216.32
- 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° | 185.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -115.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.31 | kJ/mol | Joback Calculated Property |
| log10WS | -4.35 | Crippen Calculated Property | |
| logPoct/wat | 3.896 | Crippen Calculated Property | |
| McVol | 182.600 | ml/mol | McGowan Calculated Property |
| Pc | 2381.86 | kPa | Joback Calculated Property |
| Inp | [1498.00; 1498.00] |
|
|
| Inp | 1498.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Tboil | 615.48 | K | Joback Calculated Property |
| Tc | 852.68 | K | Joback Calculated Property |
| Tfus | 416.28 | K | Joback Calculated Property |
| Vc | 0.698 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [496.08; 599.28] | J/mol×K | [615.48; 852.68] |
|
| Cp,gas | 496.08 | J/mol×K | 615.48 | Joback Calculated Property |
| Cp,gas | 514.95 | J/mol×K | 655.01 | Joback Calculated Property |
| Cp,gas | 532.70 | J/mol×K | 694.55 | Joback Calculated Property |
| Cp,gas | 549.68 | J/mol×K | 734.08 | Joback Calculated Property |
| Cp,gas | 566.21 | J/mol×K | 773.61 | Joback Calculated Property |
| Cp,gas | 582.64 | J/mol×K | 813.15 | Joback Calculated Property |
| Cp,gas | 599.28 | J/mol×K | 852.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 10,11-Epoxycalamenene.
Sources
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