Chemical Properties of Naphthalene, 1-bromo- (CAS 90-11-9)

InChI

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

InChI Key

DLKQHBOKULLWDQ-UHFFFAOYSA-N

Formula

C10H7Br

SMILES

Brc1cccc2ccccc12

Molecular Weight¹

207.07

CAS

90-11-9

Other Names

• .alpha.-bromonaphthalene
• 1-Bromonapthalene
• 1-bromonaphthalene
• 1-naphthyl bromide
• ALPHA-BROMONAPHTHALENE
• «alpha»-Bromonaphthalene
• «alpha»-Naphthyl bromide

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid 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°_liquid : Liquid 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_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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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	0.3633		Relay (1.0) Calculated Property
ΔcH°liquid	[-5047.10; -5024.90]	kJ/mol
ΔcH°liquid	-5047.10 ± 2.20	kJ/mol	NIST
ΔcH°liquid	-5024.90 ± 0.80	kJ/mol	NIST
ΔfG°	257.07	kJ/mol	Joback Calculated Property
ΔfH°gas	174.30 ± 5.60	kJ/mol	NIST
ΔfH°liquid	111.60 ± 2.60	kJ/mol	NIST
ΔfusH°	17.61	kJ/mol	Joback Calculated Property
ΔvapH°	[62.70; 63.90]	kJ/mol
ΔvapH°	63.90 ± 0.40	kJ/mol	NIST
ΔvapH°	62.70 ± 5.00	kJ/mol	NIST
IE	[8.08; 8.09]	eV
IE	8.08 ± 0.03	eV	NIST
IE	8.08 ± 0.03	eV	NIST
IE	8.09	eV	NIST
log10WS	[-4.35; -4.35]
log10WS	-4.35		Aq. Solubility Prediction
log10WS	-4.35		Estimated Solubility
logPoct/wat	3.602		Crippen Calculated Property
McVol	126.040	ml/mol	McGowan Calculated Property
Pc	4173.09	kPa	Joback Calculated Property
Inp	[1434.00; 1434.00]
Inp	1434.00		NIST
Inp	1434.00		NIST
Inp	1434.00		NIST
I	2157.00		NIST
Tboil	[554.20; 554.35]	K
Tboil	554.35	K	KDB
Tboil	554.20	K	NIST
Tboil	554.25 ± 0.70	K	NIST
Tc	809.29	K	Relay (1.0) Calculated Property
Tfus	[271.88; 279.25]	K
Tfus	279.25	K	KDB
Tfus	271.88	K	Aq. Solubility Prediction
Tfus	275.00 ± 1.00	K	NIST
Tfus	279.25 ± 0.20	K	NIST
Tfus	279.25 ± 0.30	K	NIST
Vc	0.461	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[15.16; 15.16]	kJ/mol	[271.40; 271.40]
ΔfusH	15.16	kJ/mol	271.40	NIST
ΔfusH	15.16	kJ/mol	271.40	NIST
ΔvapH	[45.80; 64.00]	kJ/mol	[298.15; 514.00]
ΔvapH	64.00	kJ/mol	298.15	Enthalpies of Vaporization and Sublimation of the Halogen-Substituted Aromatic Hydrocarbons at 298.15 K: Application of Solution Calorimetry Approach
ΔvapH	56.00 ± 6.00	kJ/mol	327.00	NIST
ΔvapH	58.50	kJ/mol	456.00	NIST
ΔvapH	45.80	kJ/mol	514.00	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	[0.0034330; 0.0003684]	Pa×s	[276.93; 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
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			276.93
Temperature range, max.			560.64
η	0.0034330	Pa×s	276.93	Calculated Property
η	0.0021873	Pa×s	308.45	Calculated Property
η	0.0015151	Pa×s	339.97	Calculated Property
η	0.0011170	Pa×s	371.50	Calculated Property
η	0.0008637	Pa×s	403.02	Calculated Property
η	0.0006932	Pa×s	434.55	Calculated Property
η	0.0005732	Pa×s	466.07	Calculated Property
η	0.0004855	Pa×s	497.59	Calculated Property
η	0.0004195	Pa×s	529.12	Calculated Property
η	0.0003684	Pa×s	560.64	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[407.92; 532.96]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.90252e+01
Coefficient B			-6.39560e+03
Coefficient C			-6.65960e+01
Temperature range, min.			407.92
Temperature range, max.			532.96
Pvap	1.33	kPa	407.92	Calculated Property
Pvap	2.77	kPa	421.81	Calculated Property
Pvap	5.46	kPa	435.71	Calculated Property
Pvap	10.24	kPa	449.60	Calculated Property
Pvap	18.38	kPa	463.49	Calculated Property
Pvap	31.70	kPa	477.39	Calculated Property
Pvap	52.75	kPa	491.28	Calculated Property
Pvap	84.99	kPa	505.17	Calculated Property
Pvap	133.00	kPa	519.07	Calculated Property
Pvap	202.64	kPa	532.96	Calculated Property
Pvap	[2.09e-04; 3730.17]	kPa	[279.35; 824.00]	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			9.46369e+01
Coefficient B			-1.12075e+04
Coefficient C			-1.12370e+01
Coefficient D			3.88225e-06
Coefficient E			0.00000e+00
Temperature range, min.			279.35
Temperature range, max.			824.00
Pvap	2.09e-04	kPa	279.35	Calculated Property
Pvap	0.03	kPa	339.87	Calculated Property
Pvap	0.93	kPa	400.38	Calculated Property
Pvap	9.27	kPa	460.90	Calculated Property
Pvap	49.06	kPa	521.42	Calculated Property
Pvap	173.06	kPa	581.93	Calculated Property
Pvap	465.78	kPa	642.45	Calculated Property
Pvap	1043.18	kPa	702.97	Calculated Property
Pvap	2059.67	kPa	763.48	Calculated Property
Pvap	3730.17	kPa	824.00	Calculated Property

Similar Compounds

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

Mixtures

• Naphthalene, 1-bromo- + Buckminsterfullerene

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Solubility of Bromoderivatives C60Brn (n = 6, 8, 24) in 1-Chloronaphthalene and 1-Bromonaphthalene in the Temperature Range (10 to 60) deg C
• Mutual Solubilities for Water-o-Nitrotoluene System and Distribution Coefficients for Furfural and Acetic Acid in Water-o-Nitrotoluene System
• Enthalpies of Vaporization and Sublimation of the Halogen-Substituted Aromatic Hydrocarbons at 298.15 K: Application of Solution Calorimetry Approach
• Temperature Dependence of Solubility of Individual Light Fullerenes and Industrial Fullerene Mixture in 1-Chloronaphthalene and 1-Bromonaphthalene
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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