- InChI
- InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6,9H,3-5H2,1-2H3
- InChI Key
- VUVQBYIJRDUVHT-UHFFFAOYSA-N
- Formula
- C10H14O2
- SMILES
- CC1=C2CCC(C)CC2OC1=O
- Molecular Weight1
- 166.22
- CAS
- 13341-72-5
- Other Names
-
- Mint furanone
- Mintlactone
- 5,6,7,7a-Tetrahydro-3,6-dimethyl-2(4H)-benzofuranone
- Menthalactone
- 5,6,7,7a-tetrahydro-3,6-dimethyl-(4H)-benzofuran-2-one
- 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.
- 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 | 0.3762 | Relay (1.0) Calculated Property | |
| ΔfG° | -79.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -344.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.048 | Crippen Calculated Property | |
| McVol | 133.180 | ml/mol | McGowan Calculated Property |
| Pc | 3049.04 | kPa | Joback Calculated Property |
| Inp | [1292.00; 1314.00] |
|
|
| Inp | 1314.00 | NIST | |
| Inp | 1292.00 | NIST | |
| Inp | 1292.00 | NIST | |
| I | 2368.00 | NIST | |
| Tboil | 524.36 | K | Relay (1.0) Calculated Property |
| Tc | 742.16 | K | Relay (1.0) Calculated Property |
| Tfus | 322.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.471 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [338.43; 428.34] | J/mol×K | [558.38; 791.07] |
|
| Cp,gas | 338.43 | J/mol×K | 558.38 | Joback Calculated Property |
| Cp,gas | 355.83 | J/mol×K | 597.16 | Joback Calculated Property |
| Cp,gas | 372.24 | J/mol×K | 635.94 | Joback Calculated Property |
| Cp,gas | 387.67 | J/mol×K | 674.73 | Joback Calculated Property |
| Cp,gas | 402.16 | J/mol×K | 713.51 | Joback Calculated Property |
| Cp,gas | 415.71 | J/mol×K | 752.29 | Joback Calculated Property |
| Cp,gas | 428.34 | J/mol×K | 791.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-.
Sources
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