- InChI
- InChI=1S/C12H16/c1-12(2)9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8H,5,7,9H2,1-2H3
- InChI Key
- ABIPNDAVRBMCHV-UHFFFAOYSA-N
- Formula
- C12H16
- SMILES
- CC1(C)CCCc2ccccc21
- Molecular Weight1
- 160.26
- Other Names
-
- 1,1-Dimethyltetralin
- 1,1-Dimethyl(1,2,3,4-tetrahydronaphthalene)
- 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).
- 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 | 0.3266 | Relay (1.0) Calculated Property | |
| ΔfG° | 196.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -17.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.300 | Crippen Calculated Property | |
| McVol | 145.320 | ml/mol | McGowan Calculated Property |
| Pc | 2909.25 | kPa | Joback Calculated Property |
| Tboil | 501.44 | K | Relay (1.0) Calculated Property |
| Tc | 733.62 | K | Relay (1.0) Calculated Property |
| Tfus | 240.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.528 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.08; 505.70] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.32980e+02 | |||
| Coefficient B | 1.43864e+00 | |||
| Coefficient C | -1.29956e-03 | |||
| Coefficient D | 4.99600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 173.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 235.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 287.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 331.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 368.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 400.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 428.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 454.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 479.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 505.70 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 1,2,3,4-tetrahydro-1,1-dimethyl-.
Sources
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