- InChI
- InChI=1S/C12H20O3/c1-6-12(5)8-7-10(15-12)11(3,4)14-9(2)13/h6,10H,1,7-8H2,2-5H3/t10?,12-/m0/s1
- InChI Key
- PZMSWQCFPOWCEC-KFJBMODSSA-N
- Formula
- C12H20O3
- SMILES
- C=CC1(C)CCC(C(C)(C)OC(C)=O)O1
- Molecular Weight1
- 212.29
- 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° | -155.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -495.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.80 | kJ/mol | Joback Calculated Property |
| log10WS | -2.88 | Crippen Calculated Property | |
| logPoct/wat | 2.452 | Crippen Calculated Property | |
| McVol | 178.090 | ml/mol | McGowan Calculated Property |
| Pc | 2311.39 | kPa | Joback Calculated Property |
| Inp | [1291.00; 1291.00] |
|
|
| Inp | 1291.00 | NIST | |
| Inp | 1291.00 | NIST | |
| Tboil | 581.50 | K | Joback Calculated Property |
| Tc | 796.30 | K | Joback Calculated Property |
| Tfus | 354.95 | K | Joback Calculated Property |
| Vc | 0.660 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [468.56; 562.94] | J/mol×K | [581.50; 796.30] |
|
| Cp,gas | 468.56 | J/mol×K | 581.50 | Joback Calculated Property |
| Cp,gas | 486.68 | J/mol×K | 617.30 | Joback Calculated Property |
| Cp,gas | 503.67 | J/mol×K | 653.10 | Joback Calculated Property |
| Cp,gas | 519.66 | J/mol×K | 688.90 | Joback Calculated Property |
| Cp,gas | 534.79 | J/mol×K | 724.70 | Joback Calculated Property |
| Cp,gas | 549.18 | J/mol×K | 760.50 | Joback Calculated Property |
| Cp,gas | 562.94 | J/mol×K | 796.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Linalool oxide acetate.
Sources
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