- InChI
- InChI=1S/C10H16O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,7-9H,1,5-6H2,2-3H3
- InChI Key
- YPZQHCLBLRWNMJ-UHFFFAOYSA-N
- Formula
- C10H16O2
- SMILES
- C=CC1(C)CCC(C(C)C=O)O1
- Molecular Weight1
- 168.23
- CAS
- 53447-45-3
- Other Names
-
- Lilac aldehyde (isomer II)
- 2-Furanacetaldehyde, 5-ethenyltetrahydro-«alpha»,5-dimethyl-, («alpha»S,2S,5S)-
- (2S,2'S,5'S)-Lilac aldehyde
- 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.
- 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° | -43.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -291.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.82 | kJ/mol | Joback Calculated Property |
| log10WS | -2.11 | Crippen Calculated Property | |
| logPoct/wat | 1.945 | Crippen Calculated Property | |
| McVol | 144.040 | ml/mol | McGowan Calculated Property |
| Pc | 2856.62 | kPa | Joback Calculated Property |
| Inp | 1154.00 | NIST | |
| I | [1565.00; 1565.00] |
|
|
| I | 1565.00 | NIST | |
| I | 1565.00 | NIST | |
| Tboil | 510.90 | K | Joback Calculated Property |
| Tc | 721.44 | K | Joback Calculated Property |
| Tfus | 284.83 | K | Joback Calculated Property |
| Vc | 0.546 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.23; 427.97] | J/mol×K | [510.90; 721.44] |
|
| Cp,gas | 343.23 | J/mol×K | 510.90 | Joback Calculated Property |
| Cp,gas | 359.67 | J/mol×K | 545.99 | Joback Calculated Property |
| Cp,gas | 375.04 | J/mol×K | 581.08 | Joback Calculated Property |
| Cp,gas | 389.45 | J/mol×K | 616.17 | Joback Calculated Property |
| Cp,gas | 403.00 | J/mol×K | 651.26 | Joback Calculated Property |
| Cp,gas | 415.80 | J/mol×K | 686.35 | Joback Calculated Property |
| Cp,gas | 427.97 | J/mol×K | 721.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Lilac aldehyde B.
Sources
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