Chemical Properties of Naphthalene, 2-propyl- (CAS 2027-19-2)

InChI

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

InChI Key

LQBNOHAXLHRIQW-UHFFFAOYSA-N

Formula

C13H14

SMILES

CCCc1ccc2ccccc2c1

Molecular Weight¹

170.25

CAS

2027-19-2

Other Names

• 2-propylnaphthalene

• 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_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	0.4688		Relay (1.0) Calculated Property
ΔfG°	268.01	kJ/mol	Joback Calculated Property
ΔfH°gas	95.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.10	kJ/mol	Joback Calculated Property
ΔvapH°	67.45	kJ/mol	Relay (1.0) Calculated Property
IE	7.95	eV	Relay (1.0) Calculated Property
log10WS	-5.06		Relay (1.0) Calculated Property
logPoct/wat	3.792		Crippen Calculated Property
McVol	150.810	ml/mol	McGowan Calculated Property
Pc	2755.56	kPa	Joback Calculated Property
Inp	[254.50; 1511.00]
Inp	1470.00		NIST
Inp	1511.00		NIST
Inp	1452.00		NIST
Inp	1470.00		NIST
Inp	1465.00		NIST
Inp	254.50		NIST
Inp	254.50		NIST
Tboil	[541.00; 551.00]	K
Tboil	547.90 ± 2.00	K	NIST
Tboil	Outlier 541.00 ± 5.00	K	NIST
Tboil	546.70 ± 3.00	K	NIST
Tboil	546.70 ± 1.50	K	NIST
Tboil	547.00 ± 2.00	K	NIST
Tboil	551.00 ± 6.00	K	NIST
Tboil	551.00 ± 6.00	K	NIST
Tboil	551.00 ± 6.00	K	NIST
Tc	778.08	K	Relay (1.0) Calculated Property
Tfus	[269.50; 269.60]	K
Tfus	269.50 ± 2.00	K	NIST
Tfus	269.60 ± 1.50	K	NIST
Vc	0.575	m3/kmol	Relay (1.0) Calculated Property

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	[0.0029179; 0.0003008]	Pa×s	[269.55; 541.71]	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
Temperature range, min.			269.55
Temperature range, max.			541.71
η	0.0029179	Pa×s	269.55	Calculated Property
η	0.0018490	Pa×s	299.79	Calculated Property
η	0.0012738	Pa×s	330.03	Calculated Property
η	0.0009342	Pa×s	360.27	Calculated Property
η	0.0007189	Pa×s	390.51	Calculated Property
η	0.0005744	Pa×s	420.75	Calculated Property
η	0.0004730	Pa×s	450.99	Calculated Property
η	0.0003991	Pa×s	481.23	Calculated Property
η	0.0003436	Pa×s	511.47	Calculated Property
η	0.0003008	Pa×s	541.71	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[405.42; 582.91]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47910e+01
Coefficient B			-4.85721e+03
Coefficient C			-7.05230e+01
Temperature range, min.			405.42
Temperature range, max.			582.91
Pvap	1.33	kPa	405.42	Calculated Property
Pvap	2.99	kPa	425.14	Calculated Property
Pvap	6.14	kPa	444.86	Calculated Property
Pvap	11.76	kPa	464.58	Calculated Property
Pvap	21.17	kPa	484.30	Calculated Property
Pvap	36.10	kPa	504.03	Calculated Property
Pvap	58.79	kPa	523.75	Calculated Property
Pvap	91.91	kPa	543.47	Calculated Property
Pvap	138.65	kPa	563.19	Calculated Property
Pvap	202.64	kPa	582.91	Calculated Property
Pvap	[4.09; 2783.52]	kPa	[433.15; 772.44]	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			1.16059e+02
Coefficient B			-1.23672e+04
Coefficient C			-1.43543e+01
Coefficient D			5.58608e-06
Coefficient E			0.00000e+00
Temperature range, min.			433.15
Temperature range, max.			772.44
Pvap	4.09	kPa	433.15	Calculated Property
Pvap	14.69	kPa	470.85	Calculated Property
Pvap	41.89	kPa	508.55	Calculated Property
Pvap	100.39	kPa	546.25	Calculated Property
Pvap	210.76	kPa	583.95	Calculated Property
Pvap	399.79	kPa	621.64	Calculated Property
Pvap	701.40	kPa	659.34	Calculated Property
Pvap	1158.68	kPa	697.04	Calculated Property
Pvap	1827.72	kPa	734.74	Calculated Property
Pvap	2783.52	kPa	772.44	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 2-propyl-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.