Chemical Properties of Isobutylcarbamate, N-cyclohexyl

InChI

InChI=1S/C11H21NO2/c1-9(2)8-14-11(13)12-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,12,13)

InChI Key

FCYDEXVOKLZLPO-UHFFFAOYSA-N

Formula

C11H21NO2

SMILES

CC(C)COC(=O)NC1CCCCC1

Molecular Weight¹

199.29

• 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°	-80.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-412.66	kJ/mol	Joback Calculated Property
ΔfusH°	20.44	kJ/mol	Joback Calculated Property
ΔvapH°	55.71	kJ/mol	Joback Calculated Property
log10WS	-3.22		Crippen Calculated Property
logPoct/wat	2.701		Crippen Calculated Property
McVol	172.410	ml/mol	McGowan Calculated Property
Pc	2495.01	kPa	Joback Calculated Property
Inp	[1515.00; 1515.00]
Inp	1515.00		NIST
Inp	1515.00		NIST
Tboil	596.65	K	Joback Calculated Property
Tc	803.51	K	Joback Calculated Property
Tfus	330.93	K	Joback Calculated Property
Vc	0.637	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[460.83; 556.97]	J/mol×K	[596.65; 803.51]
Cp,gas	460.83	J/mol×K	596.65	Joback Calculated Property
Cp,gas	479.38	J/mol×K	631.13	Joback Calculated Property
Cp,gas	496.89	J/mol×K	665.60	Joback Calculated Property
Cp,gas	513.39	J/mol×K	700.08	Joback Calculated Property
Cp,gas	528.89	J/mol×K	734.56	Joback Calculated Property
Cp,gas	543.41	J/mol×K	769.04	Joback Calculated Property
Cp,gas	556.97	J/mol×K	803.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isobutylcarbamate, N-cyclohexyl.

Sources

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

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