- InChI
- InChI=1S/C9H14O2/c1-2-3-4-5-8-6-7-9(10)11-8/h6H,2-5,7H2,1H3
- InChI Key
- PGAMJXWVUGDLRA-UHFFFAOYSA-N
- Formula
- C9H14O2
- SMILES
- CCCCCC1=CCC(=O)O1
- Molecular Weight1
- 154.21
- Other Names
-
- 5-Pentyl-2(3H)-furanone
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5037 | Relay (1.0) Calculated Property | |
| ΔfG° | -119.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -400.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.397 | Crippen Calculated Property | |
| McVol | 129.950 | ml/mol | McGowan Calculated Property |
| Pc | 3012.33 | kPa | Joback Calculated Property |
| Inp | [1266.00; 1281.00] |
|
|
| Inp | 1273.00 | NIST | |
| Inp | 1279.00 | NIST | |
| Inp | 1266.00 | NIST | |
| Inp | 1281.00 | NIST | |
| Inp | 1281.00 | NIST | |
| Tboil | 515.30 | K | Relay (1.0) Calculated Property |
| Tc | 693.11 | K | Relay (1.0) Calculated Property |
| Tfus | 263.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.484 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [304.50; 381.30] | J/mol×K | [524.18; 735.12] |
|
| Cp,gas | 304.50 | J/mol×K | 524.18 | Joback Calculated Property |
| Cp,gas | 318.98 | J/mol×K | 559.34 | Joback Calculated Property |
| Cp,gas | 332.79 | J/mol×K | 594.49 | Joback Calculated Property |
| Cp,gas | 345.91 | J/mol×K | 629.65 | Joback Calculated Property |
| Cp,gas | 358.37 | J/mol×K | 664.80 | Joback Calculated Property |
| Cp,gas | 370.17 | J/mol×K | 699.96 | Joback Calculated Property |
| Cp,gas | 381.30 | J/mol×K | 735.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Pentyl-3H-furan-2-one.
Sources
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