- InChI
- InChI=1S/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3
- InChI Key
- GWLLTEXUIOFAFE-UHFFFAOYSA-N
- Formula
- C16H20
- SMILES
- CC(C)c1ccc2cc(C(C)C)ccc2c1
- Molecular Weight1
- 212.34
- CAS
- 24157-81-1
- Other Names
-
- 2,6-Bis(1-methylethyl)naphthalene
- 2,6-diisopropylnaphthalene
- Diisopropylnaphthaline (DIPN)
- Naphthalene, 2,6-bis(1-methylethyl)-
- Naphthalene, 2,6-diisopropyl-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5077 | Relay (1.0) Calculated Property | |
| ΔfG° | 278.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -16.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.087 | Crippen Calculated Property | |
| McVol | 193.080 | ml/mol | McGowan Calculated Property |
| Pc | 2081.22 | kPa | Joback Calculated Property |
| Inp | [1704.00; 1735.50] |
|
|
| Inp | Outlier 1704.00 | NIST | |
| Inp | 1728.00 | NIST | |
| Inp | 1728.00 | NIST | |
| Inp | 1716.80 | NIST | |
| Inp | 1728.00 | NIST | |
| Inp | 1735.50 | NIST | |
| Inp | 1716.80 | NIST | |
| Inp | 1728.00 | NIST | |
| Inp | 1735.50 | NIST | |
| Inp | 1728.00 | NIST | |
| Inp | 1728.00 | NIST | |
| Inp | 1725.00 | NIST | |
| Inp | 1727.00 | NIST | |
| Inp | 1733.00 | NIST | |
| Inp | 1728.00 | NIST | |
| Inp | 1735.00 | NIST | |
| Inp | 1725.00 | NIST | |
| Ip | [2214.00; 2242.00] |
|
|
| Ip | 2242.00 | NIST | |
| Ip | 2214.00 | NIST | |
| Ip | 2242.00 | NIST | |
| Tboil | 581.13 | K | Relay (1.0) Calculated Property |
| Tc | 810.79 | K | Relay (1.0) Calculated Property |
| Tfus | 342.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.725 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.12; 630.47] | 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 | -5.17700e+01 | |||
| Coefficient B | 1.33408e+00 | |||
| Coefficient C | -8.86840e-04 | |||
| Coefficient D | 2.35000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 251.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 319.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 379.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 432.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 478.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 517.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 552.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 581.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 607.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 630.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015807; 0.0002414] | Pa×s | [342.15; 591.28] |
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 | -1.09098e+01 | |||
| Coefficient B | 1.52598e+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. | 342.15 | |||
| Temperature range, max. | 591.28 | |||
| η | 0.0015807 | Pa×s | 342.15 | Calculated Property |
| η | 0.0011321 | Pa×s | 369.83 | Calculated Property |
| η | 0.0008494 | Pa×s | 397.51 | Calculated Property |
| η | 0.0006615 | Pa×s | 425.19 | Calculated Property |
| η | 0.0005312 | Pa×s | 452.88 | Calculated Property |
| η | 0.0004375 | Pa×s | 480.56 | Calculated Property |
| η | 0.0003680 | Pa×s | 508.24 | Calculated Property |
| η | 0.0003152 | Pa×s | 535.92 | Calculated Property |
| η | 0.0002740 | Pa×s | 563.60 | Calculated Property |
| η | 0.0002414 | Pa×s | 591.28 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [408.46; 648.09] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.18890e+01 | |||
| Coefficient B | -3.63968e+03 | |||
| Coefficient C | -9.47310e+01 | |||
| Temperature range, min. | 408.46 | |||
| Temperature range, max. | 648.09 | |||
| Pvap | 1.33 | kPa | 408.46 | Calculated Property |
| Pvap | 3.30 | kPa | 435.09 | Calculated Property |
| Pvap | 7.18 | kPa | 461.71 | Calculated Property |
| Pvap | 14.04 | kPa | 488.34 | Calculated Property |
| Pvap | 25.22 | kPa | 514.96 | Calculated Property |
| Pvap | 42.26 | kPa | 541.59 | Calculated Property |
| Pvap | 66.81 | kPa | 568.21 | Calculated Property |
| Pvap | 100.60 | kPa | 594.84 | Calculated Property |
| Pvap | 145.34 | kPa | 621.46 | Calculated Property |
| Pvap | 202.66 | kPa | 648.09 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Diisopropyl naphthalene.
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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