- InChI
- InChI=1S/C13H20O2/c1-10(2)6-5-7-11(3)13(10)9-8-12(4,14-11)15-13/h5,7H,6,8-9H2,1-4H3
- InChI Key
- QXHORPLJTIHQGR-UHFFFAOYSA-N
- Formula
- C13H20O2
- SMILES
- CC12CCC3(O1)C(C)(C)CC=CC3(C)O2
- Molecular Weight1
- 208.30
- 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° | 44.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -271.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.01 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 3.027 | Crippen Calculated Property | |
| McVol | 168.890 | ml/mol | McGowan Calculated Property |
| Pc | 2887.40 | kPa | Joback Calculated Property |
| Inp | [1313.00; 1313.00] |
|
|
| Inp | 1313.00 | NIST | |
| Inp | 1313.00 | NIST | |
| Tboil | 574.95 | K | Joback Calculated Property |
| Tc | 822.59 | K | Joback Calculated Property |
| Tfus | 428.31 | K | Joback Calculated Property |
| Vc | 0.637 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [465.53; 571.41] | J/mol×K | [574.95; 822.59] |
|
| Cp,gas | 465.53 | J/mol×K | 574.95 | Joback Calculated Property |
| Cp,gas | 484.88 | J/mol×K | 616.22 | Joback Calculated Property |
| Cp,gas | 502.69 | J/mol×K | 657.50 | Joback Calculated Property |
| Cp,gas | 519.60 | J/mol×K | 698.77 | Joback Calculated Property |
| Cp,gas | 536.26 | J/mol×K | 740.04 | Joback Calculated Property |
| Cp,gas | 553.31 | J/mol×K | 781.32 | Joback Calculated Property |
| Cp,gas | 571.41 | J/mol×K | 822.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Riesling acetal.
Sources
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