Chemical Properties of 1-Bromopyrene (CAS 1714-29-0)

InChI

InChI=1S/C16H9Br/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H

InChI Key

HYGLETVERPVXOS-UHFFFAOYSA-N

Formula

C16H9Br

SMILES

Brc1ccc2ccc3cccc4ccc1c2c34

Molecular Weight¹

281.15

CAS

1714-29-0

Other Names

• pyrene, 1-bromo-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• 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).
• 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_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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[417.48; 479.37]	J/mol×K	[722.50; 990.26]
Cp,gas	417.48	J/mol×K	722.50	Joback Calculated Property
Cp,gas	428.94	J/mol×K	767.13	Joback Calculated Property
Cp,gas	439.62	J/mol×K	811.75	Joback Calculated Property
Cp,gas	449.75	J/mol×K	856.38	Joback Calculated Property
Cp,gas	459.59	J/mol×K	901.01	Joback Calculated Property
Cp,gas	469.38	J/mol×K	945.64	Joback Calculated Property
Cp,gas	479.37	J/mol×K	990.26	Joback Calculated Property
η	[0.0015242; 0.0024437]	Pa×s	[498.24; 722.50]
η	0.0024437	Pa×s	498.24	Joback Calculated Property
η	0.0021977	Pa×s	535.62	Joback Calculated Property
η	0.0020039	Pa×s	572.99	Joback Calculated Property
η	0.0018480	Pa×s	610.37	Joback Calculated Property
η	0.0017203	Pa×s	647.75	Joback Calculated Property
η	0.0016139	Pa×s	685.12	Joback Calculated Property
η	0.0015242	Pa×s	722.50	Joback Calculated Property
ΔsubH	99.20 ± 4.40	kJ/mol	344.50	NIST
Psub	[1.80e-06; 2.33e-04]	kPa	[320.80; 367.90]
Psub	1.80e-06	kPa	320.80	The eff...
Psub	1.52e-05	kPa	339.40	The eff...
Psub	1.37e-05	kPa	339.50	The eff...
Psub	3.08e-05	kPa	347.10	The eff...
Psub	2.82e-05	kPa	347.30	The eff...
Psub	5.08e-05	kPa	351.40	The eff...
Psub	5.08e-05	kPa	353.80	The eff...
Psub	4.97e-05	kPa	353.80	The eff...
Psub	5.94e-05	kPa	355.30	The eff...
Psub	6.06e-05	kPa	355.40	The eff...
Psub	7.83e-05	kPa	358.30	The eff...
Psub	9.01e-05	kPa	358.60	The eff...
Psub	1.12e-04	kPa	362.30	The eff...
Psub	1.55e-04	kPa	363.40	The eff...
Psub	1.28e-04	kPa	363.40	The eff...
Psub	1.60e-04	kPa	363.40	The eff...
Psub	1.80e-04	kPa	365.90	The eff...
Psub	2.33e-04	kPa	367.90	The eff...

Similar Compounds

Find more compounds similar to 1-Bromopyrene.

Sources

• 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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