Chemical Properties of 1-t-Butyltetralin

InChI

InChI=1S/C14H20/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13/h4-5,7,9,13H,6,8,10H2,1-3H3

InChI Key

ZTZYMPJTCAZBIN-UHFFFAOYSA-N

Formula

C14H20

SMILES

CC(C)(C)C1CCCc2ccccc21

Molecular Weight¹

188.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[217.97; 603.02]	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			-1.09280e+02
Coefficient B			1.46256e+00
Coefficient C			-1.04756e-03
Coefficient D			2.97300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	217.97	J/mol×K	273.00	Calculated Property
Cp,gas	290.19	J/mol×K	353.78	Calculated Property
Cp,gas	352.86	J/mol×K	434.56	Calculated Property
Cp,gas	406.91	J/mol×K	515.33	Calculated Property
Cp,gas	453.30	J/mol×K	596.11	Calculated Property
Cp,gas	492.94	J/mol×K	676.89	Calculated Property
Cp,gas	526.80	J/mol×K	757.67	Calculated Property
Cp,gas	555.81	J/mol×K	838.44	Calculated Property
Cp,gas	580.90	J/mol×K	919.22	Calculated Property
Cp,gas	603.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029253; 0.0002916]	Pa×s	[303.32; 553.06]	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			-1.09409e+01
Coefficient B			1.54891e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			303.32
Temperature range, max.			553.06
η	0.0029253	Pa×s	303.32	Calculated Property
η	0.0019067	Pa×s	331.07	Calculated Property
η	0.0013279	Pa×s	358.82	Calculated Property
η	0.0009740	Pa×s	386.57	Calculated Property
η	0.0007448	Pa×s	414.32	Calculated Property
η	0.0005890	Pa×s	442.07	Calculated Property
η	0.0004789	Pa×s	469.81	Calculated Property
η	0.0003985	Pa×s	497.56	Calculated Property
η	0.0003380	Pa×s	525.31	Calculated Property
η	0.0002916	Pa×s	553.06	Calculated Property

Similar Compounds

Find more compounds similar to 1-t-Butyltetralin.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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