Chemical Properties of Bromo STP

InChI

InChI=1S/C11H16BrNO2/c1-7-9(14-2)6-8(4-5-13)11(15-3)10(7)12/h6H,4-5,13H2,1-3H3

InChI Key

CFNPHYJWDYQUCU-UHFFFAOYSA-N

Formula

C11H16BrNO2

SMILES

COc1cc(CCN)c(OC)c(Br)c1C

Molecular Weight¹

274.15

• 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).
• 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).
• I_np : Non-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
ΔfG°	-13.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-284.04	kJ/mol	Joback Calculated Property
ΔfusH°	29.59	kJ/mol	Joback Calculated Property
ΔvapH°	66.90	kJ/mol	Joback Calculated Property
log10WS	-3.59		Crippen Calculated Property
logPoct/wat	2.276		Crippen Calculated Property
McVol	181.310	ml/mol	McGowan Calculated Property
Pc	2738.28	kPa	Joback Calculated Property
Inp	[2195.00; 2195.00]
Inp	2195.00		NIST
Inp	2195.00		NIST
Inp	2195.00		NIST
Tboil	681.21	K	Joback Calculated Property
Tc	904.00	K	Joback Calculated Property
Tfus	477.75	K	Joback Calculated Property
Vc	0.670	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[449.66; 517.50]	J/mol×K	[681.21; 904.00]
Cp,gas	449.66	J/mol×K	681.21	Joback Calculated Property
Cp,gas	462.85	J/mol×K	718.34	Joback Calculated Property
Cp,gas	475.30	J/mol×K	755.47	Joback Calculated Property
Cp,gas	486.99	J/mol×K	792.60	Joback Calculated Property
Cp,gas	497.93	J/mol×K	829.73	Joback Calculated Property
Cp,gas	508.10	J/mol×K	866.87	Joback Calculated Property
Cp,gas	517.50	J/mol×K	904.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bromo STP.

Sources

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

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