- InChI
- InChI=1S/C9H12O2/c1-6(2)4-8-7(3)5-9(10)11-8/h5,8H,1,4H2,2-3H3
- InChI Key
- ZATUMQTYNNDDSO-UHFFFAOYSA-N
- Formula
- C9H12O2
- SMILES
- C=C(C)CC1OC(=O)C=C1C
- Molecular Weight1
- 152.19
- CAS
- 89902-24-9
- 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.
- 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° | -47.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -276.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.01 | kJ/mol | Joback Calculated Property |
| log10WS | -2.17 | Crippen Calculated Property | |
| logPoct/wat | 1.824 | Crippen Calculated Property | |
| McVol | 125.650 | ml/mol | McGowan Calculated Property |
| Pc | 3059.17 | kPa | Joback Calculated Property |
| Inp | [949.50; 949.50] |
|
|
| Inp | 949.50 | NIST | |
| Inp | 949.50 | NIST | |
| Tboil | 516.07 | K | Joback Calculated Property |
| Tc | 735.62 | K | Joback Calculated Property |
| Tfus | 294.44 | K | Joback Calculated Property |
| Vc | 0.476 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.08; 363.21] | J/mol×K | [516.07; 735.62] |
|
| Cp,gas | 287.08 | J/mol×K | 516.07 | Joback Calculated Property |
| Cp,gas | 301.50 | J/mol×K | 552.66 | Joback Calculated Property |
| Cp,gas | 315.23 | J/mol×K | 589.25 | Joback Calculated Property |
| Cp,gas | 328.25 | J/mol×K | 625.84 | Joback Calculated Property |
| Cp,gas | 340.59 | J/mol×K | 662.44 | Joback Calculated Property |
| Cp,gas | 352.24 | J/mol×K | 699.03 | Joback Calculated Property |
| Cp,gas | 363.21 | J/mol×K | 735.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2(5H)-Furanone, 4-methyl-5-(2-methyl-2-propenyl)-.
Sources
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