- InChI
- InChI=1S/C14H16/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,1-3H3
- InChI Key
- MCEORGGPAKTORV-UHFFFAOYSA-N
- Formula
- C14H16
- SMILES
- CC(C)(C)c1ccc2ccccc2c1
- Molecular Weight1
- 184.28
- CAS
- 2876-35-9
- Other Names
-
- 2-(1,1-Dimethylethyl)naphthalene
- 2-tert-Butylnaphthalene
- Naphthalene, 2-tert-butyl-
- «beta»-tert-Butylnaphthalene
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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.
- 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 | 0.4051 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -7769.50 ± 1.30 | kJ/mol | NIST |
| ΔfG° | 279.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 50.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -26.30 ± 1.50 | kJ/mol | NIST |
| ΔfusH° | 15.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.137 | Crippen Calculated Property | |
| McVol | 164.900 | ml/mol | McGowan Calculated Property |
| Pc | 2545.61 | kPa | Joback Calculated Property |
| Inp | [1475.00; 1502.00] |
|
|
| Inp | 1475.00 | NIST | |
| Inp | 1502.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Tboil | [548.00; 558.00] | K |
|
| Tboil | 554.80 ± 4.00 | K | NIST |
| Tboil | 558.00 ± 15.00 | K | NIST |
| Tboil | 550.00 ± 5.00 | K | NIST |
| Tboil | 549.00 ± 6.00 | K | NIST |
| Tboil | 548.00 ± 5.00 | K | NIST |
| Tc | 789.46 | K | Relay (1.0) Calculated Property |
| Tfus | [267.00; 354.00] | K |
|
| Tfus | 269.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 354.00 ± 4.00 | K | NIST |
| Tfus | 267.00 ± 4.00 | K | NIST |
| Vc | 0.611 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.31; 530.72] | 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 | -8.53600e+01 | |||
| Coefficient B | 1.31756e+00 | |||
| Coefficient C | -1.01048e-03 | |||
| Coefficient D | 3.09000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 205.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 267.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 321.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 367.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 406.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 439.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 467.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 491.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 511.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 530.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030986; 0.0002607] | Pa×s | [296.72; 562.68] |
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 | -1.10135e+01 | |||
| Coefficient B | 1.55382e+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. | 296.72 | |||
| Temperature range, max. | 562.68 | |||
| η | 0.0030986 | Pa×s | 296.72 | Calculated Property |
| η | 0.0019283 | Pa×s | 326.27 | Calculated Property |
| η | 0.0012984 | Pa×s | 355.82 | Calculated Property |
| η | 0.0009289 | Pa×s | 385.37 | Calculated Property |
| η | 0.0006970 | Pa×s | 414.92 | Calculated Property |
| η | 0.0005434 | Pa×s | 444.47 | Calculated Property |
| η | 0.0004370 | Pa×s | 474.03 | Calculated Property |
| η | 0.0003605 | Pa×s | 503.58 | Calculated Property |
| η | 0.0003038 | Pa×s | 533.13 | Calculated Property |
| η | 0.0002607 | Pa×s | 562.68 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [407.15; 591.38] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.44790e+01 | |||
| Coefficient B | -4.77092e+03 | |||
| Coefficient C | -7.09660e+01 | |||
| Temperature range, min. | 407.15 | |||
| Temperature range, max. | 591.38 | |||
| Pvap | 1.33 | kPa | 407.15 | Calculated Property |
| Pvap | 3.01 | kPa | 427.62 | Calculated Property |
| Pvap | 6.22 | kPa | 448.09 | Calculated Property |
| Pvap | 11.94 | kPa | 468.56 | Calculated Property |
| Pvap | 21.48 | kPa | 489.03 | Calculated Property |
| Pvap | 36.59 | kPa | 509.50 | Calculated Property |
| Pvap | 59.44 | kPa | 529.97 | Calculated Property |
| Pvap | 92.63 | kPa | 550.44 | Calculated Property |
| Pvap | 139.22 | kPa | 570.91 | Calculated Property |
| Pvap | 202.64 | kPa | 591.38 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 2-(1,1-dimethylethyl)-.
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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