Chemical Properties of 1H-Indene, 5-butyl-6-hexyl-2,3-dihydro- (CAS 55030-45-0)

InChI

InChI=1S/C19H30/c1-3-5-7-8-11-17-15-19-13-9-12-18(19)14-16(17)10-6-4-2/h14-15H,3-13H2,1-2H3

InChI Key

ZJQLBKPUALAMNC-UHFFFAOYSA-N

Formula

C19H30

SMILES

CCCCCCc1cc2c(cc1CCCC)CCC2

Molecular Weight¹

258.44

CAS

55030-45-0

Other Names

• 5-n-Butyl-6-n-hexyl-(2,3-dihydroindene)
• 5-n-Butyl-6-n-hexylindan

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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 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	[333.23; 844.99]	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			-6.15720e+01
Coefficient B			1.72884e+00
Coefficient C			-1.11548e-03
Coefficient D			2.93200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	333.23	J/mol×K	273.00	Calculated Property
Cp,gas	423.42	J/mol×K	353.78	Calculated Property
Cp,gas	503.12	J/mol×K	434.56	Calculated Property
Cp,gas	573.25	J/mol×K	515.33	Calculated Property
Cp,gas	634.73	J/mol×K	596.11	Calculated Property
Cp,gas	688.50	J/mol×K	676.89	Calculated Property
Cp,gas	735.49	J/mol×K	757.67	Calculated Property
Cp,gas	776.61	J/mol×K	838.44	Calculated Property
Cp,gas	812.80	J/mol×K	919.22	Calculated Property
Cp,gas	844.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015952; 0.0003146]	Pa×s	[390.05; 619.23]	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			-1.08273e+01
Coefficient B			1.71097e+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.			390.05
Temperature range, max.			619.23
η	0.0015952	Pa×s	390.05	Calculated Property
η	0.0012192	Pa×s	415.51	Calculated Property
η	0.0009612	Pa×s	440.98	Calculated Property
η	0.0007777	Pa×s	466.44	Calculated Property
η	0.0006432	Pa×s	491.91	Calculated Property
η	0.0005420	Pa×s	517.37	Calculated Property
η	0.0004641	Pa×s	542.84	Calculated Property
η	0.0004030	Pa×s	568.30	Calculated Property
η	0.0003542	Pa×s	593.77	Calculated Property
η	0.0003146	Pa×s	619.23	Calculated Property

Similar Compounds

Find more compounds similar to 1H-Indene, 5-butyl-6-hexyl-2,3-dihydro-.

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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