- InChI
- InChI=1S/C12H18O2/c1-7(2)12-6-10(12)8(3)5-11(12)14-9(4)13/h5,7,10-11H,6H2,1-4H3
- InChI Key
- OIAIPKLZAGWFDB-UHFFFAOYSA-N
- Formula
- C12H18O2
- SMILES
- CC(=O)OC1C=C(C)C2CC12C(C)C
- Molecular Weight1
- 194.27
- CAS
- 53833-85-5
- Other Names
-
- Sabinil acetate trans
- 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° | -57.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -354.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.39 | kJ/mol | Joback Calculated Property |
| log10WS | -2.74 | Crippen Calculated Property | |
| logPoct/wat | 2.540 | Crippen Calculated Property | |
| McVol | 161.360 | ml/mol | McGowan Calculated Property |
| Pc | 2443.48 | kPa | Joback Calculated Property |
| Inp | [1275.00; 1291.00] |
|
|
| Inp | 1291.00 | NIST | |
| Inp | 1288.00 | NIST | |
| Inp | 1275.00 | NIST | |
| Inp | 1277.00 | NIST | |
| Tboil | 563.00 | K | Joback Calculated Property |
| Tc | 770.72 | K | Joback Calculated Property |
| Tfus | 350.98 | K | Joback Calculated Property |
| Vc | 0.623 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.04; 504.28] | J/mol×K | [563.00; 770.72] |
|
| Cp,gas | 418.04 | J/mol×K | 563.00 | Joback Calculated Property |
| Cp,gas | 434.48 | J/mol×K | 597.62 | Joback Calculated Property |
| Cp,gas | 449.93 | J/mol×K | 632.24 | Joback Calculated Property |
| Cp,gas | 464.51 | J/mol×K | 666.86 | Joback Calculated Property |
| Cp,gas | 478.34 | J/mol×K | 701.48 | Joback Calculated Property |
| Cp,gas | 491.55 | J/mol×K | 736.10 | Joback Calculated Property |
| Cp,gas | 504.28 | J/mol×K | 770.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Thujen-2-«alpha»-yl acetate.
Sources
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