- InChI
- InChI=1S/C12H16/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3,5,7,10H,4,6,8H2,1-2H3
- InChI Key
- DXRBFZCGSZKZTL-UHFFFAOYSA-N
- Formula
- C12H16
- SMILES
- Cc1ccc2c(c1)CCC(C)C2
- Molecular Weight1
- 160.26
- CAS
- 7524-63-2
- Other Names
-
- 1,2,3,4-Tetrahydro-2,6-dimethylnaphthalene
- 2,6-Dimethyltetralin
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 16.13 | kJ/mol | Joback Calculated Property |
| logPoct/wat | 3.120 | Crippen Calculated Property | |
| McVol | 145.320 | ml/mol | McGowan Calculated Property |
| Pc | 2729.71 | kPa | Joback Calculated Property |
| Inp | [1301.00; 1350.00] |
|
|
| Inp | 1321.00 | NIST | |
| Inp | Outlier 1350.00 | NIST | |
| Inp | 1301.47 | NIST | |
| Inp | 1301.61 | NIST | |
| Inp | 1301.00 | NIST | |
| Inp | 1304.00 | NIST | |
| Inp | 1321.00 | NIST | |
| Tboil | 516.46 | K | Relay (1.0) Calculated Property |
| Tc | 725.08 | K | Relay (1.0) Calculated Property |
| Tfus | 293.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.537 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [179.56; 495.33] | 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 | -6.86900e+01 | |||
| Coefficient B | 1.08724e+00 | |||
| Coefficient C | -6.99920e-04 | |||
| Coefficient D | 1.76700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 179.56 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 236.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 286.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 329.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 368.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 401.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 430.14 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 455.01 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 476.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 495.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016119; 0.0003244] | Pa×s | [293.15; 523.26] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.00762e+01 | |||
| Coefficient B | 1.06879e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 293.15 | |||
| Temperature range, max. | 523.26 | |||
| η | 0.0016119 | Pa×s | 293.15 | Calculated Property |
| η | 0.0012032 | Pa×s | 318.72 | Calculated Property |
| η | 0.0009379 | Pa×s | 344.29 | Calculated Property |
| η | 0.0007568 | Pa×s | 369.85 | Calculated Property |
| η | 0.0006278 | Pa×s | 395.42 | Calculated Property |
| η | 0.0005328 | Pa×s | 420.99 | Calculated Property |
| η | 0.0004607 | Pa×s | 446.56 | Calculated Property |
| η | 0.0004047 | Pa×s | 472.13 | Calculated Property |
| η | 0.0003602 | Pa×s | 497.69 | Calculated Property |
| η | 0.0003244 | Pa×s | 523.26 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [378.22; 555.52] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.36539e+01 | |||
| Coefficient B | -3.93522e+03 | |||
| Coefficient C | -8.38060e+01 | |||
| Temperature range, min. | 378.22 | |||
| Temperature range, max. | 555.52 | |||
| Pvap | 1.33 | kPa | 378.22 | Calculated Property |
| Pvap | 3.08 | kPa | 397.92 | Calculated Property |
| Pvap | 6.46 | kPa | 417.62 | Calculated Property |
| Pvap | 12.46 | kPa | 437.32 | Calculated Property |
| Pvap | 22.41 | kPa | 457.02 | Calculated Property |
| Pvap | 38.03 | kPa | 476.72 | Calculated Property |
| Pvap | 61.35 | kPa | 496.42 | Calculated Property |
| Pvap | 94.74 | kPa | 516.12 | Calculated Property |
| Pvap | 140.88 | kPa | 535.82 | Calculated Property |
| Pvap | 202.65 | kPa | 555.52 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 1,2,3,4-tetrahydro-2,6-dimethyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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