Chemical Properties of Anthracene, 9-butyl- (CAS 1498-69-7)

InChI

InChI=1S/C18H18/c1-2-3-10-18-16-11-6-4-8-14(16)13-15-9-5-7-12-17(15)18/h4-9,11-13H,2-3,10H2,1H3

InChI Key

VNCDUSIZHQJFOG-UHFFFAOYSA-N

Formula

C18H18

SMILES

CCCCc1c2ccccc2cc2ccccc12

Molecular Weight¹

234.34

CAS

1498-69-7

Other Names

• 9-Butylanthracene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔsubH	108.10	kJ/mol	303.00	NIST
ΔvapH	[77.10; 83.90]	kJ/mol	[350.50; 457.00]
ΔvapH	83.90	kJ/mol	350.50	NIST
ΔvapH	77.10	kJ/mol	457.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[253.18; 641.79]	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			-8.16670e+01
Coefficient B			1.50852e+00
Coefficient C			-1.12596e-03
Coefficient D			3.40900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	253.18	J/mol×K	273.00	Calculated Property
Cp,gas	326.18	J/mol×K	353.78	Calculated Property
Cp,gas	389.22	J/mol×K	434.56	Calculated Property
Cp,gas	443.36	J/mol×K	515.33	Calculated Property
Cp,gas	489.68	J/mol×K	596.11	Calculated Property
Cp,gas	529.27	J/mol×K	676.89	Calculated Property
Cp,gas	563.19	J/mol×K	757.67	Calculated Property
Cp,gas	592.54	J/mol×K	838.44	Calculated Property
Cp,gas	618.38	J/mol×K	919.22	Calculated Property
Cp,gas	641.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035001; 0.0004367]	Pa×s	[322.05; 643.88]	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			-9.81922e+00
Coefficient B			1.34110e+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.			322.05
Temperature range, max.			643.88
η	0.0035001	Pa×s	322.05	Calculated Property
η	0.0023086	Pa×s	357.81	Calculated Property
η	0.0016423	Pa×s	393.57	Calculated Property
η	0.0012365	Pa×s	429.33	Calculated Property
η	0.0009725	Pa×s	465.08	Calculated Property
η	0.0007915	Pa×s	500.84	Calculated Property
η	0.0006622	Pa×s	536.60	Calculated Property
η	0.0005665	Pa×s	572.36	Calculated Property
η	0.0004935	Pa×s	608.12	Calculated Property
η	0.0004367	Pa×s	643.88	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.31; 200.09]	kPa	[491.15; 603.15]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.53521e+01
Coefficient B			-1.12044e+04
Coefficient C			-4.44180e+01
Temperature range, min.			491.15
Temperature range, max.			603.15
Pvap	1.31	kPa	491.15	Calculated Property
Pvap	2.59	kPa	503.59	Calculated Property
Pvap	4.93	kPa	516.04	Calculated Property
Pvap	9.08	kPa	528.48	Calculated Property
Pvap	16.21	kPa	540.93	Calculated Property
Pvap	28.15	kPa	553.37	Calculated Property
Pvap	47.60	kPa	565.82	Calculated Property
Pvap	78.56	kPa	578.26	Calculated Property
Pvap	126.72	kPa	590.71	Calculated Property
Pvap	200.09	kPa	603.15	Calculated Property

Similar Compounds

Find more compounds similar to Anthracene, 9-butyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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