Chemical Properties of Naphthalene, 1-phenyl- (CAS 605-02-7)

InChI

InChI=1S/C16H12/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-12H

InChI Key

IYDMICQAKLQHLA-UHFFFAOYSA-N

Formula

C16H12

SMILES

c1ccc(-c2cccc3ccccc23)cc1

Molecular Weight¹

204.27

CAS

605-02-7

Other Names

• 1-Phenylnaphthalene

• 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).
• 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).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	405.68	kJ/mol	Joback Calculated Property
ΔfH°gas	279.09	kJ/mol	Joback Calculated Property
ΔfusH°	21.91	kJ/mol	Joback Calculated Property
ΔvapH°	81.10 ± 1.80	kJ/mol	NIST
log10WS	-5.88		Crippen Calculated Property
logPoct/wat	4.507		Crippen Calculated Property
McVol	169.320	ml/mol	McGowan Calculated Property
Pc	2884.30	kPa	Joback Calculated Property
Inp	[309.20; 1872.00]
Inp	1818.00		NIST
Inp	1858.20		NIST
Inp	1858.20		NIST
Inp	1841.70		NIST
Inp	1858.20		NIST
Inp	1868.00		NIST
Inp	1834.60		NIST
Inp	1847.00		NIST
Inp	1841.70		NIST
Inp	1858.20		NIST
Inp	1868.00		NIST
Inp	1858.20		NIST
Inp	1858.20		NIST
Inp	1827.20		NIST
Inp	1872.00		NIST
Inp	1822.00		NIST
Inp	1832.00		NIST
Inp	1835.00		NIST
Inp	326.40		NIST
Inp	326.40		NIST
Inp	312.59		NIST
Inp	312.59		NIST
Inp	312.91		NIST
Inp	313.30		NIST
Inp	309.20		NIST
Inp	309.20		NIST
Inp	315.11		NIST
Inp	313.05		NIST
Inp	313.60		NIST
Inp	313.96		NIST
Inp	311.39		NIST
Inp	312.74		NIST
Inp	315.19		NIST
Inp	312.20		NIST
Inp	315.21		NIST
Inp	312.60		NIST
Inp	312.60		NIST
Inp	310.02		NIST
Inp	312.59		NIST
Inp	315.19		NIST
Inp	315.19		NIST
Inp	313.90		NIST
Inp	314.23		NIST
Inp	314.35		NIST
Inp	315.19		NIST
Inp	315.19		NIST
Inp	315.19		NIST
Tboil	[597.70; 607.20]	K
Tboil	597.70	K	NIST
Tboil	607.20	K	NIST
Tc	905.43	K	Joback Calculated Property
Tfus	368.14	K	Joback Calculated Property
Ttriple	297.47	K	Thermod...
Vc	0.637	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[412.52; 493.25]	J/mol×K	[642.80; 905.43]
Cp,gas	412.52	J/mol×K	642.80	Joback Calculated Property
Cp,gas	429.21	J/mol×K	686.57	Joback Calculated Property
Cp,gas	444.42	J/mol×K	730.34	Joback Calculated Property
Cp,gas	458.29	J/mol×K	774.11	Joback Calculated Property
Cp,gas	470.95	J/mol×K	817.88	Joback Calculated Property
Cp,gas	482.55	J/mol×K	861.65	Joback Calculated Property
Cp,gas	493.25	J/mol×K	905.43	Joback Calculated Property
η	[0.0002560; 0.0015202]	Pa×s	[368.14; 642.80]
η	0.0015202	Pa×s	368.14	Joback Calculated Property
η	0.0009586	Pa×s	413.92	Joback Calculated Property
η	0.0006626	Pa×s	459.69	Joback Calculated Property
η	0.0004897	Pa×s	505.47	Joback Calculated Property
η	0.0003805	Pa×s	551.25	Joback Calculated Property
η	0.0003074	Pa×s	597.02	Joback Calculated Property
η	0.0002560	Pa×s	642.80	Joback Calculated Property
ΔsubH	88.60	kJ/mol	383.00	NIST
ΔvapH	81.00	kJ/mol	298.15	Phase t...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[452.60; 571.77]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.07690e+01
Coefficient B			-7.50975e+03
Coefficient C			-8.59360e+01
Temperature range, min.			452.60
Temperature range, max.			571.77
Pvap	1.33	kPa	452.60	Calculated Property
Pvap	2.72	kPa	465.84	Calculated Property
Pvap	5.30	kPa	479.08	Calculated Property
Pvap	9.87	kPa	492.32	Calculated Property
Pvap	17.69	kPa	505.56	Calculated Property
Pvap	30.58	kPa	518.81	Calculated Property
Pvap	51.17	kPa	532.05	Calculated Property
Pvap	83.13	kPa	545.29	Calculated Property
Pvap	131.43	kPa	558.53	Calculated Property
Pvap	202.67	kPa	571.77	Calculated Property
Pvap	[2.78e-04; 2584.88]	kPa	[318.15; 849.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.66243e+01
Coefficient B			-1.29035e+04
Coefficient C			-1.11976e+01
Coefficient D			2.70396e-06
Temperature range, min.			318.15
Temperature range, max.			849.00
Pvap	2.78e-04	kPa	318.15	Calculated Property
Pvap	0.03	kPa	377.13	Calculated Property
Pvap	0.60	kPa	436.12	Calculated Property
Pvap	5.73	kPa	495.10	Calculated Property
Pvap	30.80	kPa	554.08	Calculated Property
Pvap	112.33	kPa	613.07	Calculated Property
Pvap	312.65	kPa	672.05	Calculated Property
Pvap	717.68	kPa	731.03	Calculated Property
Pvap	1433.08	kPa	790.02	Calculated Property
Pvap	2584.88	kPa	849.00	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Phase transition thermodynamics of phenyl and biphenyl naphthalenes
• Thermodynamic properties of 1-phenylnaphthalene and 2-phenylnaphthalene
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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