- InChI
- InChI=1S/C14H18O/c1-9-5-10(2)13-11(6-9)7-14(3,4)8-12(13)15/h5-6H,7-8H2,1-4H3
- InChI Key
- SHSYEGQDGZAMNV-UHFFFAOYSA-N
- Formula
- C14H18O
- SMILES
- Cc1cc(C)c2c(c1)CC(C)(C)CC2=O
- Molecular Weight1
- 202.29
- CAS
- 5409-55-2
- Other Names
-
- 3,3,6,8-Tetramethyl-1-tetralone
- 3,3,6,8-Tetramethyl-3,4-dihydro-1(2H)-naphthalenone
- 3,4-dihydro-3,3,6,8-tetramethylnaphthalen-1(2H)-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).
- 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° | 71.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -185.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.20 | kJ/mol | Joback Calculated Property |
| log10WS | -4.38 | Crippen Calculated Property | |
| logPoct/wat | 3.459 | Crippen Calculated Property | |
| McVol | 175.070 | ml/mol | McGowan Calculated Property |
| Pc | 2400.57 | kPa | Joback Calculated Property |
| Tboil | 640.41 | K | Joback Calculated Property |
| Tc | 881.06 | K | Joback Calculated Property |
| Tfus | 418.06 | K | Joback Calculated Property |
| Vc | 0.665 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.43; 558.92] | J/mol×K | [640.41; 881.06] | 
|
| Cp,gas | 461.43 | J/mol×K | 640.41 | Joback Calculated Property |
| Cp,gas | 479.58 | J/mol×K | 680.52 | Joback Calculated Property |
| Cp,gas | 496.78 | J/mol×K | 720.63 | Joback Calculated Property |
| Cp,gas | 513.18 | J/mol×K | 760.73 | Joback Calculated Property |
| Cp,gas | 528.91 | J/mol×K | 800.84 | Joback Calculated Property |
| Cp,gas | 544.11 | J/mol×K | 840.95 | Joback Calculated Property |
| Cp,gas | 558.92 | J/mol×K | 881.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1(2H)-Naphthalenone, 3,4-dihydro-3,3,6,8-tetramethyl-.
Sources
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