Chemical Properties of Naphthalene, 2-bromo- (CAS 580-13-2)

InChI

InChI=1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H

InChI Key

APSMUYYLXZULMS-UHFFFAOYSA-N

Formula

C10H7Br

SMILES

Brc1ccc2ccccc2c1

Molecular Weight¹

207.07

CAS

580-13-2

Other Names

• 2-Bromonaphthalene
• 2-Bromonapthalene
• 2-Naphthyl bromide
• «beta»-Bromonaphthalene
• «beta»-Naphthyl bromide

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid 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_fH°_solid : Solid phase 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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	0.3726		Relay (1.0) Calculated Property
ΔcH°solid	-5029.90 ± 1.70	kJ/mol	NIST
ΔfG°	257.07	kJ/mol	Joback Calculated Property
ΔfH°gas	175.60 ± 2.30	kJ/mol	NIST
ΔfH°solid	94.40 ± 2.10	kJ/mol	NIST
ΔfusH°	17.61	kJ/mol	Joback Calculated Property
ΔsubH°	[64.00; 81.20]	kJ/mol
ΔsubH°	81.20 ± 1.00	kJ/mol	NIST
ΔsubH°	81.20 ± 1.00	kJ/mol	NIST
ΔsubH°	64.00 ± 5.00	kJ/mol	NIST
ΔvapH°	66.10 ± 0.40	kJ/mol	NIST
IE	8.18 ± 0.03	eV	NIST
log10WS	[-4.40; -4.40]
log10WS	-4.40		Aq. Solubility Prediction
log10WS	-4.40		Estimated Solubility
logPoct/wat	3.602		Crippen Calculated Property
McVol	126.040	ml/mol	McGowan Calculated Property
Pc	4173.09	kPa	Joback Calculated Property
Tboil	[554.15; 554.70]	K
Tboil	554.70	K	NIST
Tboil	554.15 ± 0.70	K	NIST
Tc	812.85	K	Relay (1.0) Calculated Property
Tfus	332.00 ± 1.00	K	NIST
Vc	0.462	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[5.77; 14.40]	kJ/mol	[319.00; 329.00]
ΔfusH	5.77	kJ/mol	319.00	NIST
ΔfusH	14.40	kJ/mol	329.00	NIST
ΔfusH	14.40	kJ/mol	329.00	NIST
ΔvapH	[40.40; 42.50]	kJ/mol	[340.50; 354.00]
ΔvapH	40.40	kJ/mol	340.50	NIST
ΔvapH	42.50	kJ/mol	354.00	NIST
ΔfusS	[18.09; 43.76]	J/mol×K	[319.00; 329.00]
ΔfusS	18.09	J/mol×K	319.00	NIST
ΔfusS	43.76	J/mol×K	329.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[135.90; 331.96]	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			-4.90600e+01
Coefficient B			8.49900e-01
Coefficient C			-6.92480e-04
Coefficient D			2.23600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.90	J/mol×K	273.00	Calculated Property
Cp,gas	174.85	J/mol×K	353.78	Calculated Property
Cp,gas	207.85	J/mol×K	434.56	Calculated Property
Cp,gas	235.62	J/mol×K	515.33	Calculated Property
Cp,gas	258.87	J/mol×K	596.11	Calculated Property
Cp,gas	278.29	J/mol×K	676.89	Calculated Property
Cp,gas	294.61	J/mol×K	757.67	Calculated Property
Cp,gas	308.52	J/mol×K	838.44	Calculated Property
Cp,gas	320.74	J/mol×K	919.22	Calculated Property
Cp,gas	331.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016517; 0.0003684]	Pa×s	[332.00; 560.64]	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			-1.00849e+01
Coefficient B			1.22142e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			332.00
Temperature range, max.			560.64
η	0.0016517	Pa×s	332.00	Calculated Property
η	0.0012716	Pa×s	357.40	Calculated Property
η	0.0010136	Pa×s	382.81	Calculated Property
η	0.0008310	Pa×s	408.21	Calculated Property
η	0.0006974	Pa×s	433.62	Calculated Property
η	0.0005967	Pa×s	459.02	Calculated Property
η	0.0005190	Pa×s	484.43	Calculated Property
η	0.0004577	Pa×s	509.83	Calculated Property
η	0.0004085	Pa×s	535.24	Calculated Property
η	0.0003684	Pa×s	560.64	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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