- InChI
- InChI=1S/C11H20O/c1-5-7-8-10(9(3)4)11(12)6-2/h5-8H2,1-4H3
- InChI Key
- NHPCTOQWRLAEGD-UHFFFAOYSA-N
- Formula
- C11H20O
- SMILES
- CCCCC(C(=O)CC)=C(C)C
- Molecular Weight1
- 168.28
- 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° | -24.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -285.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.94 | kJ/mol | Joback Calculated Property |
| log10WS | -3.56 | Crippen Calculated Property | |
| logPoct/wat | 3.492 | Crippen Calculated Property | |
| McVol | 163.120 | ml/mol | McGowan Calculated Property |
| Pc | 2165.35 | kPa | Joback Calculated Property |
| Inp | 1241.00 | NIST | |
| I | [1637.00; 1637.00] |
|
|
| I | 1637.00 | NIST | |
| I | 1637.00 | NIST | |
| Tboil | 508.87 | K | Joback Calculated Property |
| Tc | 694.01 | K | Joback Calculated Property |
| Tfus | 230.66 | K | Joback Calculated Property |
| Vc | 0.639 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.72; 452.64] | J/mol×K | [508.87; 694.01] |
|
| Cp,gas | 370.72 | J/mol×K | 508.87 | Joback Calculated Property |
| Cp,gas | 386.10 | J/mol×K | 539.73 | Joback Calculated Property |
| Cp,gas | 400.75 | J/mol×K | 570.58 | Joback Calculated Property |
| Cp,gas | 414.70 | J/mol×K | 601.44 | Joback Calculated Property |
| Cp,gas | 427.98 | J/mol×K | 632.30 | Joback Calculated Property |
| Cp,gas | 440.62 | J/mol×K | 663.16 | Joback Calculated Property |
| Cp,gas | 452.64 | J/mol×K | 694.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (1R)-(+)-pulegone.
Sources
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