Chemical Properties of Acenaphthylene, 5-bromo-1,2-dihydro- (CAS 2051-98-1)

InChI

InChI=1S/C12H9Br/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2

InChI Key

QALKJGMGKYKMKE-UHFFFAOYSA-N

Formula

C12H9Br

SMILES

Brc1ccc2c3c(cccc13)CC2

Molecular Weight¹

233.10

CAS

2051-98-1

Other Names

• 5-Bromoacenaphthene
• Acenaphthene, 5-bromo-

• 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_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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_sub : Sublimation pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.4751		Relay (1.0) Calculated Property
ΔfG°	335.21	kJ/mol	Joback Calculated Property
ΔfH°gas	172.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.18	kJ/mol	Joback Calculated Property
ΔvapH°	75.20	kJ/mol	Relay (1.0) Calculated Property
IE	7.77	eV	Relay (1.0) Calculated Property
log10WS	-5.73		Relay (1.0) Calculated Property
logPoct/wat	3.701		Crippen Calculated Property
McVol	143.360	ml/mol	McGowan Calculated Property
Pc	3754.57	kPa	Joback Calculated Property
Tboil	[608.20; 608.50]	K
Tboil	608.20	K	NIST
Tboil	608.50 ± 0.50	K	NIST
Tc	860.74	K	Relay (1.0) Calculated Property
Tfus	349.85	K	Relay (1.0) Calculated Property
Vc	0.546	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[314.34; 374.44]	J/mol×K	[607.86; 864.13]
Cp,gas	314.34	J/mol×K	607.86	Joback Calculated Property
Cp,gas	326.51	J/mol×K	650.57	Joback Calculated Property
Cp,gas	337.59	J/mol×K	693.28	Joback Calculated Property
Cp,gas	347.76	J/mol×K	735.99	Joback Calculated Property
Cp,gas	357.18	J/mol×K	778.70	Joback Calculated Property
Cp,gas	366.02	J/mol×K	821.41	Joback Calculated Property
Cp,gas	374.44	J/mol×K	864.13	Joback Calculated Property
η	[0.0009339; 0.0018241]	Pa×s	[407.18; 607.86]
η	0.0018241	Pa×s	407.18	Joback Calculated Property
η	0.0015639	Pa×s	440.63	Joback Calculated Property
η	0.0013702	Pa×s	474.07	Joback Calculated Property
η	0.0012216	Pa×s	507.52	Joback Calculated Property
η	0.0011047	Pa×s	540.97	Joback Calculated Property
η	0.0010108	Pa×s	574.41	Joback Calculated Property
η	0.0009339	Pa×s	607.86	Joback Calculated Property
ΔsubH	87.40 ± 2.60	kJ/mol	308.00	NIST
Psub	[3.92e-05; 7.25e-04]	kPa	[295.50; 321.40]
Psub	3.92e-05	kPa	295.50	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	5.63e-05	kPa	298.50	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	1.07e-04	kPa	303.60	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	1.44e-04	kPa	305.70	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	1.84e-04	kPa	308.00	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	2.77e-04	kPa	311.90	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	3.44e-04	kPa	314.40	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	4.35e-04	kPa	316.60	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	5.60e-04	kPa	318.90	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	5.53e-04	kPa	319.20	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	7.25e-04	kPa	321.20	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
Psub	6.79e-04	kPa	321.40	The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Acenaphthylene, 5-bromo-1,2-dihydro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• The effect of halogen hetero-atoms on the vapor pressures and thermodynamics of polycyclic aromatic compounds measured via the Knudsen effusion technique
• Joback Method
• McGowan Method
• NIST Webbook

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