Chemical Properties of NAPHTHALENE, 1-PROPYL- (CAS 27378-74-1)

InChI

InChI=1S/C13H14/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h3-5,7-10H,2,6H2,1H3

InChI Key

HMAMGXMFMCAOPV-UHFFFAOYSA-N

Formula

C13H14

SMILES

CCCc1cccc2ccccc12

Molecular Weight¹

170.26

CAS

27378-74-1

Other Names

• 1-Propyl naphthalene
• 1-Propylnaphthalene
• 1-n-Propylnaphthalene

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4560		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ΔcH°liquid	-6820.00	kJ/mol	NIST
ΔfG°	268.01	kJ/mol	Joback Calculated Property
ΔfH°gas	83.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.10	kJ/mol	Joback Calculated Property
ΔvapH°	67.11	kJ/mol	Relay (1.0) Calculated Property
IE	7.90	eV	Relay (1.0) Calculated Property
log10WS	-4.84		Relay (1.0) Calculated Property
logPoct/wat	3.792		Crippen Calculated Property
McVol	150.810	ml/mol	McGowan Calculated Property
Pc	2923.23	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Inp	[255.10; 1504.00]
Inp	1462.00		NIST
Inp	1504.00		NIST
Inp	1445.00		NIST
Inp	1463.00		NIST
Inp	1460.00		NIST
Inp	Outlier 255.10		NIST
Tboil	[543.00; 549.00]	K
Tboil	546.00 ± 4.00	K	NIST
Tboil	Outlier 543.00 ± 4.00	K	NIST
Tboil	545.93 ± 0.30	K	NIST
Tboil	545.70 ± 3.00	K	NIST
Tboil	545.70 ± 1.00	K	NIST
Tboil	546.00 ± 3.00	K	NIST
Tboil	549.00 ± 3.00	K	NIST
Tboil	548.00 ± 4.00	K	NIST
Tboil	548.00 ± 4.00	K	NIST
Tc	781.15	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus	[264.55; 365.00]	K
Tfus	264.55	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	264.55 ± 0.20	K	NIST
Tfus	365.00 ± 2.00	K	NIST
Tfus	264.55 ± 0.20	K	NIST
Vc	0.567	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[185.56; 477.66]	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			-5.99780e+01
Coefficient B			1.09672e+00
Coefficient C			-7.84280e-04
Coefficient D			2.25200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	185.56	J/mol×K	273.00	Calculated Property
Cp,gas	239.83	J/mol×K	353.78	Calculated Property
Cp,gas	286.99	J/mol×K	434.56	Calculated Property
Cp,gas	327.74	J/mol×K	515.33	Calculated Property
Cp,gas	362.80	J/mol×K	596.11	Calculated Property
Cp,gas	392.88	J/mol×K	676.89	Calculated Property
Cp,gas	418.70	J/mol×K	757.67	Calculated Property
Cp,gas	440.96	J/mol×K	838.44	Calculated Property
Cp,gas	460.37	J/mol×K	919.22	Calculated Property
Cp,gas	477.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021315; 0.0002945]	Pa×s	[289.66; 546.80]	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			-1.03597e+01
Coefficient B			1.21912e+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.			289.66
Temperature range, max.			546.80
η	0.0021315	Pa×s	289.66	Calculated Property
η	0.0014607	Pa×s	318.23	Calculated Property
η	0.0010654	Pa×s	346.81	Calculated Property
η	0.0008153	Pa×s	375.38	Calculated Property
η	0.0006480	Pa×s	403.95	Calculated Property
η	0.0005308	Pa×s	432.52	Calculated Property
η	0.0004458	Pa×s	461.09	Calculated Property
η	0.0003820	Pa×s	489.66	Calculated Property
η	0.0003330	Pa×s	518.23	Calculated Property
η	0.0002945	Pa×s	546.80	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[404.71; 580.46]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.49034e+01
Coefficient B			-4.90449e+03
Coefficient C			-6.91470e+01
Temperature range, min.			404.71
Temperature range, max.			580.46
Pvap	1.33	kPa	404.71	Calculated Property
Pvap	2.98	kPa	424.24	Calculated Property
Pvap	6.12	kPa	443.77	Calculated Property
Pvap	11.71	kPa	463.29	Calculated Property
Pvap	21.06	kPa	482.82	Calculated Property
Pvap	35.94	kPa	502.35	Calculated Property
Pvap	58.57	kPa	521.88	Calculated Property
Pvap	91.67	kPa	541.40	Calculated Property
Pvap	138.47	kPa	560.93	Calculated Property
Pvap	202.65	kPa	580.46	Calculated Property
Pvap	[3.48; 2780.09]	kPa	[428.15; 771.45]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			1.16094e+02
Coefficient B			-1.23594e+04
Coefficient C			-1.43577e+01
Coefficient D			5.56389e-06
Coefficient E			0.00000e+00
Temperature range, min.			428.15
Temperature range, max.			771.45
Pvap	3.48	kPa	428.15	Calculated Property
Pvap	13.10	kPa	466.29	Calculated Property
Pvap	38.63	kPa	504.44	Calculated Property
Pvap	94.83	kPa	542.58	Calculated Property
Pvap	202.60	kPa	580.73	Calculated Property
Pvap	389.23	kPa	618.87	Calculated Property
Pvap	689.29	kPa	657.02	Calculated Property
Pvap	1146.62	kPa	695.16	Calculated Property
Pvap	1818.18	kPa	733.31	Calculated Property
Pvap	2780.09	kPa	771.45	Calculated Property

Similar Compounds

Find more compounds similar to NAPHTHALENE, 1-PROPYL-.

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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