Chemical Properties of Naphthalene, 1-ethyl- (CAS 1127-76-0)

InChI

InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3

InChI Key

ZMXIYERNXPIYFR-UHFFFAOYSA-N

Formula

C12H12

SMILES

CCc1cccc2ccccc12

Molecular Weight¹

156.22

CAS

1127-76-0

Other Names

• 1-Ethylnaphthalene
• ALPHA-ETHYLNAPHTHALENE
• «alpha»-Ethylnaphthalene
• «alpha»-Ethylnaphthalene

• 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).
• EA : Electron affinity (eV).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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	0.3950		KDB
ΔcH°liquid	-6171.00	kJ/mol	NIST
EA	0.15 ± 0.06	eV	NIST
ΔfG°	259.59	kJ/mol	Joback Calculated Property
ΔfH°gas	125.12	kJ/mol	Joback Calculated Property
ΔfusH°	17.51	kJ/mol	Joback Calculated Property
ΔvapH°	46.88	kJ/mol	Joback Calculated Property
log10WS	[-4.17; -4.17]
log10WS	-4.17		Aq. Sol...
log10WS	-4.17		Estimat...
logPoct/wat	3.402		Crippen Calculated Property
McVol	136.720	ml/mol	McGowan Calculated Property
Pc	3140.00	kPa	KDB
Inp	[233.53; 1413.99]
Inp	1393.00		NIST
Inp	1393.00		NIST
Inp	1393.00		NIST
Inp	1400.00		NIST
Inp	1384.00		NIST
Inp	1379.00		NIST
Inp	1397.00		NIST
Inp	1367.00		NIST
Inp	1393.80		NIST
Inp	1393.10		NIST
Inp	1383.60		NIST
Inp	1393.80		NIST
Inp	1400.00		NIST
Inp	1413.70		NIST
Inp	1377.10		NIST
Inp	1383.60		NIST
Inp	1393.80		NIST
Inp	1400.00		NIST
Inp	1393.80		NIST
Inp	1393.10		NIST
Inp	1402.00		NIST
Inp	1359.14		NIST
Inp	1369.60		NIST
Inp	1376.32		NIST
Inp	1394.60		NIST
Inp	1406.41		NIST
Inp	1413.99		NIST
Inp	1367.00		NIST
Inp	1393.40		NIST
Inp	1413.00		NIST
Inp	1384.00		NIST
Inp	1400.50		NIST
Inp	1377.00		NIST
Inp	1367.00		NIST
Inp	238.70		NIST
Inp	236.56		NIST
Inp	239.30		NIST
Inp	239.30		NIST
Inp	239.24		NIST
Inp	237.97		NIST
Inp	239.10		NIST
Inp	239.72		NIST
Inp	239.88		NIST
Inp	233.53		NIST
Inp	236.56		NIST
Inp	240.10		NIST
Inp	239.30		NIST
Inp	236.60		NIST
Inp	239.92		NIST
Inp	236.08		NIST
Inp	239.20		NIST
Inp	239.70		NIST
Inp	1377.00		NIST
Inp	1384.00		NIST
Tboil	531.50	K	KDB
Tc	774.90	K	KDB
Tfus	[258.00; 259.27]	K
Tfus	259.00	K	KDB
Tfus	259.25	K	Aq. Sol...
Tfus	259.27 ± 0.20	K	NIST
Tfus	258.00 ± 3.00	K	NIST
Vc	0.521	m3/kmol	KDB
Zc	0.2541570		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[296.36; 372.97]	J/mol×K	[524.60; 754.97]
Cp,gas	296.36	J/mol×K	524.60	Joback Calculated Property
Cp,gas	311.61	J/mol×K	562.99	Joback Calculated Property
Cp,gas	325.77	J/mol×K	601.39	Joback Calculated Property
Cp,gas	338.92	J/mol×K	639.78	Joback Calculated Property
Cp,gas	351.12	J/mol×K	678.18	Joback Calculated Property
Cp,gas	362.44	J/mol×K	716.57	Joback Calculated Property
Cp,gas	372.97	J/mol×K	754.97	Joback Calculated Property
η	[0.0003029; 0.0015737]	Pa×s	[296.64; 524.60]
η	0.0015737	Pa×s	296.64	Joback Calculated Property
η	0.0010231	Pa×s	334.63	Joback Calculated Property
η	0.0007262	Pa×s	372.63	Joback Calculated Property
η	0.0005492	Pa×s	410.62	Joback Calculated Property
η	0.0004355	Pa×s	448.61	Joback Calculated Property
η	0.0003581	Pa×s	486.61	Joback Calculated Property
η	0.0003029	Pa×s	524.60	Joback Calculated Property
ΔvapH	[48.12; 57.30]	kJ/mol	[479.00; 531.50]
ΔvapH	57.30	kJ/mol	479.00	NIST
ΔvapH	48.12	kJ/mol	531.50	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[390.43; 578.11]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37996e+01
Coefficient B			-4.28448e+03
Coefficient C			-7.33460e+01
Temperature range, min.			390.43
Temperature range, max.			578.11
Pvap	1.33	kPa	390.43	Calculated Property
Pvap	3.07	kPa	411.28	Calculated Property
Pvap	6.41	kPa	432.14	Calculated Property
Pvap	12.36	kPa	452.99	Calculated Property
Pvap	22.24	kPa	473.84	Calculated Property
Pvap	37.76	kPa	494.70	Calculated Property
Pvap	60.99	kPa	515.55	Calculated Property
Pvap	94.35	kPa	536.40	Calculated Property
Pvap	140.58	kPa	557.26	Calculated Property
Pvap	202.66	kPa	578.11	Calculated Property
Pvap	[6.42e-05; 3070.56]	kPa	[259.34; 776.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.07197e+02
Coefficient B			-1.14548e+04
Coefficient C			-1.31370e+01
Coefficient D			4.99842e-06
Temperature range, min.			259.34
Temperature range, max.			776.00
Pvap	6.42e-05	kPa	259.34	Calculated Property
Pvap	0.02	kPa	316.75	Calculated Property
Pvap	0.58	kPa	374.15	Calculated Property
Pvap	6.54	kPa	431.56	Calculated Property
Pvap	37.22	kPa	488.97	Calculated Property
Pvap	136.61	kPa	546.37	Calculated Property
Pvap	375.41	kPa	603.78	Calculated Property
Pvap	849.81	kPa	661.19	Calculated Property
Pvap	1687.78	kPa	718.59	Calculated Property
Pvap	3070.56	kPa	776.00	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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