- InChI
- InChI=1S/C11H18O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h10H,4-7H2,1-3H3
- InChI Key
- LRKURLXWGJNWOJ-UHFFFAOYSA-N
- Formula
- C11H18O2
- SMILES
- CCCCCC1OC(=O)C(C)=C1C
- Molecular Weight1
- 182.26
- Other Names
-
- 2,3-Dimethyl-2-nonen-4-olide
- 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).
- 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° | -119.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -444.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.71 | kJ/mol | Joback Calculated Property |
| log10WS | -3.15 | Crippen Calculated Property | |
| logPoct/wat | 2.828 | Crippen Calculated Property | |
| McVol | 158.130 | ml/mol | McGowan Calculated Property |
| Pc | 2351.92 | kPa | Joback Calculated Property |
| I | [2195.00; 2206.00] |
|
|
| I | 2195.00 | NIST | |
| I | 2206.00 | NIST | |
| Tboil | 570.25 | K | Joback Calculated Property |
| Tc | 775.60 | K | Joback Calculated Property |
| Tfus | 345.22 | K | Joback Calculated Property |
| Vc | 0.607 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [400.09; 486.96] | J/mol×K | [570.25; 775.60] |
|
| Cp,gas | 400.09 | J/mol×K | 570.25 | Joback Calculated Property |
| Cp,gas | 416.40 | J/mol×K | 604.47 | Joback Calculated Property |
| Cp,gas | 431.99 | J/mol×K | 638.70 | Joback Calculated Property |
| Cp,gas | 446.83 | J/mol×K | 672.92 | Joback Calculated Property |
| Cp,gas | 460.95 | J/mol×K | 707.15 | Joback Calculated Property |
| Cp,gas | 474.33 | J/mol×K | 741.37 | Joback Calculated Property |
| Cp,gas | 486.96 | J/mol×K | 775.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dimethyl-5-pentyl-5H-furan-2-one.
Sources
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