- InChI
- InChI=1S/C11H18O2/c1-5-10(3)6-7-11(4,13-10)9(2)8-12/h5,8-9H,1,6-7H2,2-4H3
- InChI Key
- GQKMBIOXFXUQNM-UHFFFAOYSA-N
- Formula
- C11H18O2
- SMILES
- C=CC1(C)CCC(C)(C(C)C=O)O1
- Molecular Weight1
- 182.26
- 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° | -40.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -297.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.90 | kJ/mol | Joback Calculated Property |
| log10WS | -2.52 | Crippen Calculated Property | |
| logPoct/wat | 2.335 | Crippen Calculated Property | |
| McVol | 158.130 | ml/mol | McGowan Calculated Property |
| Pc | 2707.03 | kPa | Joback Calculated Property |
| Inp | [1141.00; 1141.00] |
|
|
| Inp | 1141.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Tboil | 534.02 | K | Joback Calculated Property |
| Tc | 749.87 | K | Joback Calculated Property |
| Tfus | 320.00 | K | Joback Calculated Property |
| Vc | 0.601 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [389.71; 477.27] | J/mol×K | [534.02; 749.87] |
|
| Cp,gas | 389.71 | J/mol×K | 534.02 | Joback Calculated Property |
| Cp,gas | 406.62 | J/mol×K | 569.99 | Joback Calculated Property |
| Cp,gas | 422.33 | J/mol×K | 605.97 | Joback Calculated Property |
| Cp,gas | 437.04 | J/mol×K | 641.94 | Joback Calculated Property |
| Cp,gas | 450.97 | J/mol×K | 677.92 | Joback Calculated Property |
| Cp,gas | 464.31 | J/mol×K | 713.89 | Joback Calculated Property |
| Cp,gas | 477.27 | J/mol×K | 749.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Lilac aldehyde isomer B.
Sources
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