![5-Methyl-2-octyl-[2 H]-furan-3-one](/cid/90-875-1/5-Methyl-2-octyl-2-H-furan-3-one.png "5-Methyl-2-octyl-[2 H]-furan-3-one")
- InChI
- InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-13-12(14)10-11(2)15-13/h11,13H,3-10H2,1-2H3
- InChI Key
- HHRJNMXGPAQRLS-UHFFFAOYSA-N
- Formula
- C13H24O2
- SMILES
- CCCCCCCCC1OC(C)CC1=O
- Molecular Weight1
- 212.33
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6060 | Relay (1.0) Calculated Property | |
| ΔfG° | -121.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -503.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.483 | Crippen Calculated Property | |
| McVol | 190.610 | ml/mol | McGowan Calculated Property |
| Pc | 1901.92 | kPa | Joback Calculated Property |
| I | [2193.00; 2193.00] |
|
|
| I | 2193.00 | NIST | |
| I | 2193.00 | NIST | |
| Tboil | 526.42 | K | Relay (1.0) Calculated Property |
| Tc | 735.54 | K | Relay (1.0) Calculated Property |
| Tfus | 315.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.719 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [523.33; 626.16] | J/mol×K | [602.22; 798.06] |
|
| Cp,gas | 523.33 | J/mol×K | 602.22 | Joback Calculated Property |
| Cp,gas | 542.76 | J/mol×K | 634.86 | Joback Calculated Property |
| Cp,gas | 561.26 | J/mol×K | 667.50 | Joback Calculated Property |
| Cp,gas | 578.85 | J/mol×K | 700.14 | Joback Calculated Property |
| Cp,gas | 595.52 | J/mol×K | 732.78 | Joback Calculated Property |
| Cp,gas | 611.29 | J/mol×K | 765.42 | Joback Calculated Property |
| Cp,gas | 626.16 | J/mol×K | 798.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Methyl-2-octyl-[2 H]-furan-3-one.
Sources
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