Chemical Properties of Acenaphthylene, 5-bromo-1,2-dihydro-

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

233.11

Other Names

• 5-Bromoacenaphthene
• Acenaphthene, 5-bromo-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	172.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.18	kJ/mol	Joback Calculated Property
ΔvapH°	74.74	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
Tboil	[608.20; 608.50]	K
Tboil	608.20	K	NIST
Tboil	608.50 ± 0.50	K	NIST
Tc	862.04	K	Relay (1.0) Calculated Property
Tfus	342.68	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[314.40; 374.50]	J/mol×K	[608.06; 864.41]
Cp,gas	314.40	J/mol×K	608.06	Joback Calculated Property
Cp,gas	326.56	J/mol×K	650.78	Joback Calculated Property
Cp,gas	337.65	J/mol×K	693.51	Joback Calculated Property
Cp,gas	347.82	J/mol×K	736.23	Joback Calculated Property
Cp,gas	357.24	J/mol×K	778.96	Joback Calculated Property
Cp,gas	366.08	J/mol×K	821.68	Joback Calculated Property
Cp,gas	374.50	J/mol×K	864.41	Joback Calculated Property
η	[0.0009335; 0.0018241]	Pa×s	[407.18; 608.06]
η	0.0018241	Pa×s	407.18	Joback Calculated Property
η	0.0015637	Pa×s	440.66	Joback Calculated Property
η	0.0013699	Pa×s	474.14	Joback Calculated Property
η	0.0012212	Pa×s	507.62	Joback Calculated Property
η	0.0011043	Pa×s	541.10	Joback Calculated Property
η	0.0010104	Pa×s	574.58	Joback Calculated Property
η	0.0009335	Pa×s	608.06	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)
• 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
• 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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