Chemical Properties of Carbamic acid, 2,4-dibromophenyl, ethyl ester

InChI

InChI=1S/C9H9Br2NO2/c1-2-14-9(13)12-8-4-3-6(10)5-7(8)11/h3-5H,2H2,1H3,(H,12,13)

InChI Key

BEVDUGOXLQDMDS-UHFFFAOYSA-N

Formula

C9H9Br2NO2

SMILES

CCOC(=O)Nc1ccc(Br)cc1Br

Molecular Weight¹

322.98

• 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°	2.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-154.17	kJ/mol	Joback Calculated Property
ΔfusH°	30.79	kJ/mol	Joback Calculated Property
ΔvapH°	67.69	kJ/mol	Joback Calculated Property
log10WS	-4.48		Crippen Calculated Property
logPoct/wat	3.780		Crippen Calculated Property
McVol	166.330	ml/mol	McGowan Calculated Property
Pc	3985.56	kPa	Joback Calculated Property
Inp	[1794.00; 1794.00]
Inp	1794.00		NIST
Inp	1794.00		NIST
Tboil	700.74	K	Joback Calculated Property
Tc	942.73	K	Joback Calculated Property
Tfus	487.07	K	Joback Calculated Property
Vc	0.615	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[364.84; 413.45]	J/mol×K	[700.74; 942.73]
Cp,gas	364.84	J/mol×K	700.74	Joback Calculated Property
Cp,gas	374.71	J/mol×K	741.07	Joback Calculated Property
Cp,gas	383.84	J/mol×K	781.40	Joback Calculated Property
Cp,gas	392.24	J/mol×K	821.73	Joback Calculated Property
Cp,gas	399.95	J/mol×K	862.07	Joback Calculated Property
Cp,gas	407.01	J/mol×K	902.40	Joback Calculated Property
Cp,gas	413.45	J/mol×K	942.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbamic acid, 2,4-dibromophenyl, ethyl ester.

Sources

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

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