- 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
- CAS
- 13621-25-5
- Other Names
-
- 5,7-Dimethyl-1-tetralone
- 5,7-Dimethyl-3,4-dihydro-1(2H)-naphthalenone
- 3,4-dihydro-5,7-dimethylnaphthalen-1(2H)-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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5230 | Relay (1.0) Calculated Property | |
| ΔfG° | 67.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -172.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.822 | Crippen Calculated Property | |
| McVol | 146.890 | ml/mol | McGowan Calculated Property |
| Pc | 2887.40 | kPa | Joback Calculated Property |
| Tboil | 577.52 | K | Relay (1.0) Calculated Property |
| Tc | 809.93 | K | Relay (1.0) Calculated Property |
| Tfus | 343.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.528 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [361.80; 446.60] | J/mol×K | [599.08; 840.31] | 
|
| Cp,gas | 361.80 | J/mol×K | 599.08 | Joback Calculated Property |
| Cp,gas | 378.40 | J/mol×K | 639.28 | Joback Calculated Property |
| Cp,gas | 393.98 | J/mol×K | 679.49 | Joback Calculated Property |
| Cp,gas | 408.56 | J/mol×K | 719.69 | Joback Calculated Property |
| Cp,gas | 422.18 | J/mol×K | 759.90 | Joback Calculated Property |
| Cp,gas | 434.85 | J/mol×K | 800.10 | Joback Calculated Property |
| Cp,gas | 446.60 | J/mol×K | 840.31 | 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
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