- InChI
- InChI=1S/C12H14O/c1-8-6-9(2)10-4-3-5-12(13)11(10)7-8/h6-7H,3-5H2,1-2H3
- InChI Key
- UYJCNOMEGPDXMV-UHFFFAOYSA-N
- Formula
- C12H14O
- SMILES
- Cc1cc(C)c2c(c1)C(=O)CCC2
- Molecular Weight1
- 174.24
- Other Names
-
- 3,4-dihydro-5,7-dimethylnaphthalen-1(2H)-one
- 5,7-Dimethyl-1-tetralone
- 5,7-Dimethyl-3,4-dihydro-1(2H)-naphthalenone
- 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).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -172.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.14 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.822 | Crippen Calculated Property | |
| McVol | 146.890 | ml/mol | McGowan Calculated Property |
| Tfus | 324.16 | K | Relay (1.0) Calculated Property |
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 | [361.89; 446.68] | J/mol×K | [599.28; 840.59] | 
|
| Cp,gas | 361.89 | J/mol×K | 599.28 | Joback Calculated Property |
| Cp,gas | 378.49 | J/mol×K | 639.50 | Joback Calculated Property |
| Cp,gas | 394.06 | J/mol×K | 679.72 | Joback Calculated Property |
| Cp,gas | 408.65 | J/mol×K | 719.93 | Joback Calculated Property |
| Cp,gas | 422.26 | J/mol×K | 760.15 | Joback Calculated Property |
| Cp,gas | 434.93 | J/mol×K | 800.37 | Joback Calculated Property |
| Cp,gas | 446.68 | J/mol×K | 840.59 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 372.20 | K | 0.03 | NIST |
Similar Compounds
Find more compounds similar to 1(2H)-Naphthalenone, 3,4-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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