Chemical Properties of Naphthalene-D8 (CAS 1146-65-2)

InChI

InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D

InChI Key

UFWIBTONFRDIAS-PGRXLJNUSA-N

Formula

C10H8

SMILES

[2H]c1c([2H])c([2H])c2c([2H])c([2H])c([2H])c([2H])c2c1[2H]

Molecular Weight¹

136.22

CAS

1146-65-2

Other Names

• D8-Naphthalene
• [2H8]Naphthalene
• octadeuterionaphthalene
• octadeuteronaphthalene
• perdeuterionaphthalene
• perdeuteronaphthalene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	12.72	kJ/mol	Joback Calculated Property
ΔvapH°	54.70	kJ/mol	NIST
IE	[8.12; 8.14]	eV
IE	8.12 ± 0.02	eV	NIST
IE	8.12 ± 0.01	eV	NIST
IE	8.14 ± 0.01	eV	NIST
logPoct/wat	2.840		Crippen Calculated Property
McVol	108.540	ml/mol	McGowan Calculated Property
Inp	[199.30; 199.48]
Inp	199.30		NIST
Inp	199.48		NIST
Tfus	355.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[119.36; 325.93]	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			-7.15500e+01
Coefficient B			8.71200e-01
Coefficient C			-6.88120e-04
Coefficient D			2.14400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	119.36	J/mol×K	273.00	Calculated Property
Cp,gas	160.03	J/mol×K	353.78	Calculated Property
Cp,gas	194.69	J/mol×K	434.56	Calculated Property
Cp,gas	224.01	J/mol×K	515.33	Calculated Property
Cp,gas	248.68	J/mol×K	596.11	Calculated Property
Cp,gas	269.37	J/mol×K	676.89	Calculated Property
Cp,gas	286.76	J/mol×K	757.67	Calculated Property
Cp,gas	301.53	J/mol×K	838.44	Calculated Property
Cp,gas	314.36	J/mol×K	919.22	Calculated Property
Cp,gas	325.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006768; 0.0003045]	Pa×s	[355.15; 498.24]	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			-1.00797e+01
Coefficient B			9.87900e+02
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.			355.15
Temperature range, max.			498.24
η	0.0006768	Pa×s	355.15	Calculated Property
η	0.0006008	Pa×s	371.05	Calculated Property
η	0.0005385	Pa×s	386.95	Calculated Property
η	0.0004869	Pa×s	402.85	Calculated Property
η	0.0004436	Pa×s	418.75	Calculated Property
η	0.0004070	Pa×s	434.64	Calculated Property
η	0.0003756	Pa×s	450.54	Calculated Property
η	0.0003485	Pa×s	466.44	Calculated Property
η	0.0003250	Pa×s	482.34	Calculated Property
η	0.0003045	Pa×s	498.24	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene-D8.

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, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects
• Joback Method
• McGowan Method
• NIST Webbook

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