- InChI
- InChI=1S/C12H22O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,10H,1,7-9H2,2-5H3
- InChI Key
- DMSMQGBPJBKXNU-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- C=CC(C)(CCCC(C)C)OC(C)=O
- Molecular Weight1
- 198.30
- CAS
- 108597-90-6
- Other Names
-
- 6,7-Dihydrolinalyl acetate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- I : 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° | -95.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -424.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.11 | kJ/mol | Joback Calculated Property |
| log10WS | -3.43 | Crippen Calculated Property | |
| logPoct/wat | 3.320 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 1966.56 | kPa | Joback Calculated Property |
| Inp | [1239.00; 1315.00] |
|
|
| Inp | 1275.00 | NIST | |
| Inp | 1286.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1265.00 | NIST | |
| Inp | 1315.00 | NIST | |
| Inp | 1275.00 | NIST | |
| Inp | 1265.00 | NIST | |
| I | 1659.00 | NIST | |
| Tboil | 543.26 | K | Joback Calculated Property |
| Tc | 728.86 | K | Joback Calculated Property |
| Tfus | 282.82 | K | Joback Calculated Property |
| Vc | 0.696 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [447.59; 534.60] | J/mol×K | [543.26; 728.86] |
|
| Cp,gas | 447.59 | J/mol×K | 543.26 | Joback Calculated Property |
| Cp,gas | 464.05 | J/mol×K | 574.19 | Joback Calculated Property |
| Cp,gas | 479.68 | J/mol×K | 605.13 | Joback Calculated Property |
| Cp,gas | 494.53 | J/mol×K | 636.06 | Joback Calculated Property |
| Cp,gas | 508.61 | J/mol×K | 666.99 | Joback Calculated Property |
| Cp,gas | 521.96 | J/mol×K | 697.93 | Joback Calculated Property |
| Cp,gas | 534.60 | J/mol×K | 728.86 | Joback Calculated Property |
| η | [0.0001688; 0.0051988] | Pa×s | [282.82; 543.26] |
|
| η | 0.0051988 | Pa×s | 282.82 | Joback Calculated Property |
| η | 0.0020082 | Pa×s | 326.23 | Joback Calculated Property |
| η | 0.0009699 | Pa×s | 369.63 | Joback Calculated Property |
| η | 0.0005458 | Pa×s | 413.04 | Joback Calculated Property |
| η | 0.0003427 | Pa×s | 456.45 | Joback Calculated Property |
| η | 0.0002333 | Pa×s | 499.85 | Joback Calculated Property |
| η | 0.0001688 | Pa×s | 543.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dihydrolinalyl acetate.
Sources
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