Chemical Properties of 9-Bromo triptycene (CAS 15364-55-3)

InChI

InChI=1S/C20H13Br/c21-20-16-10-4-1-7-13(16)19(14-8-2-5-11-17(14)20)15-9-3-6-12-18(15)20/h1-12,19H

InChI Key

HSROKCVTEYMWHO-UHFFFAOYSA-N

Formula

C20H13Br

SMILES

BrC12c3ccccc3C(c3ccccc31)c1ccccc12

Molecular Weight¹

333.22

CAS

15364-55-3

Other Names

• 9,10[1',2']-Benzenoanthracene, 9-bromo-9,10-dihydro-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_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).
• 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
ΔfG°	604.59	kJ/mol	Joback Calculated Property
ΔfH°gas	430.86	kJ/mol	Joback Calculated Property
ΔfusH°	32.17	kJ/mol	Joback Calculated Property
ΔvapH°	73.35	kJ/mol	Joback Calculated Property
IE	[7.90; 8.04]	eV
IE	7.90	eV	NIST
IE	8.04	eV	NIST
log10WS	-6.16		Crippen Calculated Property
logPoct/wat	5.180		Crippen Calculated Property
McVol	217.160	ml/mol	McGowan Calculated Property
Pc	2724.01	kPa	Joback Calculated Property
Tboil	814.78	K	Joback Calculated Property
Tc	1094.16	K	Joback Calculated Property
Tfus	565.64	K	Joback Calculated Property
Vc	0.838	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[586.86; 699.69]	J/mol×K	[814.78; 1094.16]
Cp,gas	586.86	J/mol×K	814.78	Joback Calculated Property
Cp,gas	602.97	J/mol×K	861.34	Joback Calculated Property
Cp,gas	619.46	J/mol×K	907.91	Joback Calculated Property
Cp,gas	636.84	J/mol×K	954.47	Joback Calculated Property
Cp,gas	655.65	J/mol×K	1001.04	Joback Calculated Property
Cp,gas	676.42	J/mol×K	1047.60	Joback Calculated Property
Cp,gas	699.69	J/mol×K	1094.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9-Bromo triptycene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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