- InChI
- InChI=1S/C10H10O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2,4,6H,3,5H2,1H3
- InChI Key
- TWAXWQHDMDUHDN-UHFFFAOYSA-N
- Formula
- C10H10O2
- SMILES
- Cc1ccc2c(c1)CCC(=O)O2
- Molecular Weight1
- 162.19
- CAS
- 92-47-7
- Other Names
-
- Hydrocoumarin, 6-methyl-
- 3,4-Dihydro-6-methylcoumarin
- 6-Methyl-3,4-dihydrocoumarin
- 6-Methylhydrocoumarin
- 3,4-dihydro-6-methyl-2H-1-benzopyran-2-one
- 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° | -25.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -218.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.61 | kJ/mol | Joback Calculated Property |
| log10WS | -2.54 | Crippen Calculated Property | |
| logPoct/wat | 1.847 | Crippen Calculated Property | |
| McVol | 124.580 | ml/mol | McGowan Calculated Property |
| Pc | 3615.89 | kPa | Joback Calculated Property |
| Inp | [1369.00; 1369.00] |
|
|
| Inp | 1369.00 | NIST | |
| Inp | 1369.00 | NIST | |
| Tboil | 575.29 | K | Joback Calculated Property |
| Tc | 822.59 | K | Joback Calculated Property |
| Tfus | 367.37 | K | Joback Calculated Property |
| Vc | 0.466 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [296.49; 369.97] | J/mol×K | [575.29; 822.59] |
|
| Cp,gas | 296.49 | J/mol×K | 575.29 | Joback Calculated Property |
| Cp,gas | 311.02 | J/mol×K | 616.51 | Joback Calculated Property |
| Cp,gas | 324.61 | J/mol×K | 657.72 | Joback Calculated Property |
| Cp,gas | 337.27 | J/mol×K | 698.94 | Joback Calculated Property |
| Cp,gas | 349.04 | J/mol×K | 740.16 | Joback Calculated Property |
| Cp,gas | 359.93 | J/mol×K | 781.37 | Joback Calculated Property |
| Cp,gas | 369.97 | J/mol×K | 822.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2H-1-Benzopyran-2-one, 3,4-dihydro-6-methyl-.
Sources
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