Chemical Properties of 1,4-Dihydronaphthalene (CAS 612-17-9)

InChI

InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-6H,7-8H2

InChI Key

FUPIVZHYVSCYLX-UHFFFAOYSA-N

Formula

C10H10

SMILES

C1=CCc2ccccc2C1

Molecular Weight¹

130.19

CAS

612-17-9

Other Names

• Naphthalene, 1,4-dihydro-

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• 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).
• 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	0.2841		Relay (1.0) Calculated Property
ΔfG°	222.42	kJ/mol	Joback Calculated Property
ΔfH°gas	223.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.49	kJ/mol	Joback Calculated Property
ΔsubH°	63.60 ± 1.60	kJ/mol	NIST
ΔvapH°	54.20 ± 0.40	kJ/mol	NIST
IE	8.55	eV	Relay (1.0) Calculated Property
log10WS	-3.28		Relay (1.0) Calculated Property
logPoct/wat	2.341		Crippen Calculated Property
McVol	112.840	ml/mol	McGowan Calculated Property
Pc	3727.11	kPa	Joback Calculated Property
Inp	[193.80; 1167.00]
Inp	Outlier 1167.00		NIST
Inp	196.19		NIST
Inp	197.01		NIST
Inp	193.80		NIST
Inp	195.50		NIST
Inp	196.19		NIST
Inp	193.80		NIST
Tboil	[481.90; 485.00]	K
Tboil	481.90 ± 2.00	K	NIST
Tboil	485.00 ± 4.00	K	NIST
Tboil	485.00 ± 4.00	K	NIST
Tc	695.36	K	Relay (1.0) Calculated Property
Tfus	[288.70; 301.20]	K
Tfus	298.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	300.00 ± 2.00	K	NIST
Tfus	298.00 ± 2.00	K	NIST
Tfus	297.65 ± 0.60	K	NIST
Tfus	298.70 ± 2.00	K	NIST
Tfus	301.20 ± 4.00	K	NIST
Tfus	298.20 ± 4.00	K	NIST
Tfus	297.90 ± 3.00	K	NIST
Tfus	Outlier 288.70 ± 10.00	K	NIST
Vc	0.408	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[125.84; 357.23]	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			-7.93300e+01
Coefficient B			9.27200e-01
Coefficient C			-7.00840e-04
Coefficient D			2.10200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	125.84	J/mol×K	273.00	Calculated Property
Cp,gas	170.28	J/mol×K	353.78	Calculated Property
Cp,gas	208.49	J/mol×K	434.56	Calculated Property
Cp,gas	241.13	J/mol×K	515.33	Calculated Property
Cp,gas	268.87	J/mol×K	596.11	Calculated Property
Cp,gas	292.36	J/mol×K	676.89	Calculated Property
Cp,gas	312.28	J/mol×K	757.67	Calculated Property
Cp,gas	329.29	J/mol×K	838.44	Calculated Property
Cp,gas	344.05	J/mol×K	919.22	Calculated Property
Cp,gas	357.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012440; 0.0002926]	Pa×s	[298.72; 497.05]	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			-1.03170e+01
Coefficient B			1.08366e+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.			298.72
Temperature range, max.			497.05
η	0.0012440	Pa×s	298.72	Calculated Property
η	0.0009696	Pa×s	320.76	Calculated Property
η	0.0007803	Pa×s	342.80	Calculated Property
η	0.0006447	Pa×s	364.83	Calculated Property
η	0.0005444	Pa×s	386.87	Calculated Property
η	0.0004681	Pa×s	408.90	Calculated Property
η	0.0004088	Pa×s	430.94	Calculated Property
η	0.0003617	Pa×s	452.97	Calculated Property
η	0.0003237	Pa×s	475.01	Calculated Property
η	0.0002926	Pa×s	497.05	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Dihydronaphthalene.

Sources

• 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).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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