- InChI
- InChI=1S/C12H22O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h8H,6-7,9H2,1-5H3
- InChI Key
- WLAIKFKCSAXVJL-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- CCC(C)(CCC=C(C)C)OC(C)=O
- Molecular Weight1
- 198.30
- 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° | -109.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -437.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.20 | kJ/mol | Joback Calculated Property |
| log10WS | -3.67 | Crippen Calculated Property | |
| logPoct/wat | 3.465 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 1978.82 | kPa | Joback Calculated Property |
| Inp | [1262.00; 1298.00] |
|
|
| Inp | 1262.00 | NIST | |
| Inp | 1287.00 | NIST | |
| Inp | 1271.00 | NIST | |
| Inp | 1298.00 | NIST | |
| Inp | 1286.00 | NIST | |
| Tboil | 551.06 | K | Joback Calculated Property |
| Tc | 740.34 | K | Joback Calculated Property |
| Tfus | 280.54 | K | Joback Calculated Property |
| Vc | 0.702 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [448.55; 535.33] | J/mol×K | [551.06; 740.34] |
|
| Cp,gas | 448.55 | J/mol×K | 551.06 | Joback Calculated Property |
| Cp,gas | 465.02 | J/mol×K | 582.61 | Joback Calculated Property |
| Cp,gas | 480.64 | J/mol×K | 614.15 | Joback Calculated Property |
| Cp,gas | 495.44 | J/mol×K | 645.70 | Joback Calculated Property |
| Cp,gas | 509.47 | J/mol×K | 677.24 | Joback Calculated Property |
| Cp,gas | 522.75 | J/mol×K | 708.79 | Joback Calculated Property |
| Cp,gas | 535.33 | J/mol×K | 740.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dihydrolinalool acetate.
Sources
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