- InChI
- InChI=1S/C11H16O/c1-6(12)10(2)7-4-8-9(5-7)11(8,10)3/h7-9H,4-5H2,1-3H3
- InChI Key
- OTAKYGLQNSNZRX-UHFFFAOYSA-N
- Formula
- C11H16O
- SMILES
- CC(=O)C1(C)C2CC3C(C2)C31C
- Molecular Weight1
- 164.24
- CAS
- 59300-51-5
- Other Names
-
- 1-(2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-yl)ethanone
- 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° | 92.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -162.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.30 | kJ/mol | Joback Calculated Property |
| log10WS | -2.18 | Crippen Calculated Property | |
| logPoct/wat | 2.258 | Crippen Calculated Property | |
| McVol | 134.840 | ml/mol | McGowan Calculated Property |
| Pc | 2931.34 | kPa | Joback Calculated Property |
| Inp | [1181.00; 1186.60] |
|
|
| Inp | 1186.60 | NIST | |
| Inp | 1181.00 | NIST | |
| Tboil | 507.77 | K | Joback Calculated Property |
| Tc | 722.18 | K | Joback Calculated Property |
| Tfus | 363.84 | K | Joback Calculated Property |
| Vc | 0.538 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.47; 432.06] | J/mol×K | [507.77; 722.18] |
|
| Cp,gas | 347.47 | J/mol×K | 507.77 | Joback Calculated Property |
| Cp,gas | 364.61 | J/mol×K | 543.51 | Joback Calculated Property |
| Cp,gas | 380.17 | J/mol×K | 579.24 | Joback Calculated Property |
| Cp,gas | 394.41 | J/mol×K | 614.98 | Joback Calculated Property |
| Cp,gas | 407.63 | J/mol×K | 650.71 | Joback Calculated Property |
| Cp,gas | 420.09 | J/mol×K | 686.45 | Joback Calculated Property |
| Cp,gas | 432.06 | J/mol×K | 722.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to santalone.
Sources
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