- InChI
- InChI=1S/C11H12O/c1-7-5-8(2)11-9(6-7)3-4-10(11)12/h5-6H,3-4H2,1-2H3
- InChI Key
- NXOHUHPRFMGJSZ-UHFFFAOYSA-N
- Formula
- C11H12O
- SMILES
- Cc1cc(C)c2c(c1)CCC2=O
- Molecular Weight1
- 160.22
- Other Names
-
- 1-Indanone, 5,7-dimethyl-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -110.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.93 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.432 | Crippen Calculated Property | |
| McVol | 132.800 | ml/mol | McGowan Calculated Property |
| Tfus | 322.00 ± 8.00 | K | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [313.25; 389.48] | J/mol×K | [572.13; 809.94] | 
|
| Cp,gas | 313.25 | J/mol×K | 572.13 | Joback Calculated Property |
| Cp,gas | 328.05 | J/mol×K | 611.77 | Joback Calculated Property |
| Cp,gas | 341.97 | J/mol×K | 651.40 | Joback Calculated Property |
| Cp,gas | 355.04 | J/mol×K | 691.04 | Joback Calculated Property |
| Cp,gas | 367.30 | J/mol×K | 730.67 | Joback Calculated Property |
| Cp,gas | 378.77 | J/mol×K | 770.31 | Joback Calculated Property |
| Cp,gas | 389.48 | J/mol×K | 809.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Inden-1-one, 2,3-dihydro-5,7-dimethyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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