Chemical Properties of Naphthalene, 1-butyl- (CAS 1634-09-9)

InChI

InChI=1S/C14H16/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h4-6,8-11H,2-3,7H2,1H3

InChI Key

URGSMJLDEFDWNX-UHFFFAOYSA-N

Formula

C14H16

SMILES

CCCCc1cccc2ccccc12

Molecular Weight¹

184.28

CAS

1634-09-9

Other Names

• 1-Butylnaphthalene
• 1-Naphthyl-1-butane
• 1-n-Butylnaphthalene
• ALPHA-BUTYLNAPHTHALENE
• «alpha»-Butylnaphthalene
• «alpha»-Butylnaphthalene

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5330		KDB
ΔcH°liquid	-7427.00	kJ/mol	NIST
ΔfG°	276.43	kJ/mol	Joback Calculated Property
ΔfH°gas	83.84	kJ/mol	Joback Calculated Property
ΔfusH°	22.69	kJ/mol	Joback Calculated Property
ΔvapH°	51.34	kJ/mol	Joback Calculated Property
IE	7.76	eV	NIST
log10WS	-4.92		Crippen Calculated Property
logPoct/wat	4.182		Crippen Calculated Property
McVol	164.900	ml/mol	McGowan Calculated Property
Pc	2500.00	kPa	KDB
Inp	[1555.00; 1604.00]
Inp	1562.00		NIST
Inp	1604.00		NIST
Inp	1555.00		NIST
Inp	1555.00		NIST
Tboil	562.60	K	KDB
Tc	781.50	K	KDB
Tfus	[207.00; 253.39]	K
Tfus	253.00	K	KDB
Tfus	253.39 ± 0.20	K	NIST
Tfus	250.00 ± 4.00	K	NIST
Tfus	207.00 ± 5.00	K	NIST
Vc	0.633	m3/kmol	KDB
Zc	0.2437370		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[389.98; 474.78]	J/mol×K	[570.36; 792.35]
T(K) Ideal gas heat capacity (J/mol×K) 400 420 440 460 480 600 650 700 750
Cp,gas	389.98	J/mol×K	570.36	Joback Calculated Property
Cp,gas	406.66	J/mol×K	607.36	Joback Calculated Property
Cp,gas	422.22	J/mol×K	644.36	Joback Calculated Property
Cp,gas	436.74	J/mol×K	681.35	Joback Calculated Property
Cp,gas	450.29	J/mol×K	718.35	Joback Calculated Property
Cp,gas	462.95	J/mol×K	755.35	Joback Calculated Property
Cp,gas	474.78	J/mol×K	792.35	Joback Calculated Property
η	[0.0002810; 0.0017208]	Pa×s	[319.18; 570.36]
T(K) Dynamic viscosity (Pa×s) 5.00e-4 1.00e-3 1.50e-3 400 500
η	0.0017208	Pa×s	319.18	Joback Calculated Property
η	0.0010679	Pa×s	361.04	Joback Calculated Property
η	0.0007318	Pa×s	402.91	Joback Calculated Property
η	0.0005385	Pa×s	444.77	Joback Calculated Property
η	0.0004177	Pa×s	486.63	Joback Calculated Property
η	0.0003373	Pa×s	528.50	Joback Calculated Property
η	0.0002810	Pa×s	570.36	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[412.51; 612.52]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			9.41357e+00
Coefficient B			-1.49039e+03
Coefficient C			-2.49195e+02
Temperature range, min.			412.51
Temperature range, max.			612.52
T(K) Vapor pressure (kPa) 0 50 100 150 200 450 500 550 600
Pvap	1.33	kPa	412.51	Calculated Property
Pvap	3.98	kPa	434.73	Calculated Property
Pvap	9.39	kPa	456.96	Calculated Property
Pvap	18.79	kPa	479.18	Calculated Property
Pvap	33.26	kPa	501.40	Calculated Property
Pvap	53.67	kPa	523.63	Calculated Property
Pvap	80.61	kPa	545.85	Calculated Property
Pvap	114.40	kPa	568.07	Calculated Property
Pvap	155.13	kPa	590.30	Calculated Property
Pvap	202.65	kPa	612.52	Calculated Property
Pvap	[1.59e-06; 2498.65]	kPa	[253.43; 792.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.46266e+02
Coefficient B			-1.44257e+04
Coefficient C			-1.86294e+01
Coefficient D			6.55933e-06
Temperature range, min.			253.43
Temperature range, max.			792.00
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 400 600 800
Pvap	1.59e-06	kPa	253.43	Calculated Property
Pvap	2.02e-03	kPa	313.27	Calculated Property
Pvap	0.16	kPa	373.11	Calculated Property
Pvap	2.96	kPa	432.95	Calculated Property
Pvap	21.80	kPa	492.79	Calculated Property
Pvap	92.50	kPa	552.64	Calculated Property
Pvap	275.77	kPa	612.48	Calculated Property
Pvap	654.34	kPa	672.32	Calculated Property
Pvap	1339.63	kPa	732.16	Calculated Property
Pvap	2498.65	kPa	792.00	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 1-butyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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