Chemical Properties of Isobutylcarbamate, N-(3,4-dichlorobenzyl)

InChI

InChI=1S/C12H15Cl2NO2/c1-8(2)7-17-12(16)15-6-9-3-4-10(13)11(14)5-9/h3-5,8H,6-7H2,1-2H3,(H,15,16)

InChI Key

YZOYRCABPVRISG-UHFFFAOYSA-N

Formula

C12H15Cl2NO2

SMILES

CC(C)COC(=O)NCc1ccc(Cl)c(Cl)c1

Molecular Weight¹

276.16

• ω : Acentric Factor.
• 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).
• 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
ω	0.6751		Relay (1.0) Calculated Property
ΔfG°	-27.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-456.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.86	kJ/mol	Joback Calculated Property
ΔvapH°	93.02	kJ/mol	Relay (1.0) Calculated Property
IE	8.79	eV	Relay (1.0) Calculated Property
log10WS	-4.56		Relay (1.0) Calculated Property
logPoct/wat	3.876		Crippen Calculated Property
McVol	198.080	ml/mol	McGowan Calculated Property
Pc	2320.31	kPa	Joback Calculated Property
Inp	[2037.00; 2037.00]
Inp	2037.00		NIST
Inp	2037.00		NIST
Tboil	593.67	K	Relay (1.0) Calculated Property
Tc	830.37	K	Relay (1.0) Calculated Property
Tfus	327.48	K	Relay (1.0) Calculated Property
Vc	0.711	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[496.83; 560.83]	J/mol×K	[711.48; 929.87]
Cp,gas	496.83	J/mol×K	711.48	Joback Calculated Property
Cp,gas	509.61	J/mol×K	747.88	Joback Calculated Property
Cp,gas	521.51	J/mol×K	784.28	Joback Calculated Property
Cp,gas	532.56	J/mol×K	820.67	Joback Calculated Property
Cp,gas	542.79	J/mol×K	857.07	Joback Calculated Property
Cp,gas	552.20	J/mol×K	893.47	Joback Calculated Property
Cp,gas	560.83	J/mol×K	929.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isobutylcarbamate, N-(3,4-dichlorobenzyl).

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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