Chemical Properties of Isobutylcarbamate, N,N-dicyclohexyl

InChI

InChI=1S/C17H31NO2/c1-14(2)13-20-17(19)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h14-16H,3-13H2,1-2H3

InChI Key

UHHDLFPECWRPPD-UHFFFAOYSA-N

Formula

C17H31NO2

SMILES

CC(C)COC(=O)N(C1CCCCC1)C1CCCCC1

Molecular Weight¹

281.43

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.6230		Relay (1.0) Calculated Property
ΔfH°gas	-626.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.32	kJ/mol	Joback Calculated Property
ΔvapH°	89.02	kJ/mol	Relay (1.0) Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
log10WS	-4.65		Relay (1.0) Calculated Property
logPoct/wat	4.746		Crippen Calculated Property
McVol	246.090	ml/mol	McGowan Calculated Property
Pc	1694.90	kPa	Joback Calculated Property
Inp	[1973.00; 1973.00]
Inp	1973.00		NIST
Inp	1973.00		NIST
Tboil	622.45	K	Relay (1.0) Calculated Property
Tc	841.26	K	Relay (1.0) Calculated Property
Tfus	305.47	K	Relay (1.0) Calculated Property
Vc	0.895	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[321.41; 913.20]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.30739e+02
Coefficient B			1.93804e+00
Coefficient C			-1.08420e-03
Coefficient D			1.90100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	321.41	J/mol×K	273.00	Calculated Property
Cp,gas	427.62	J/mol×K	353.78	Calculated Property
Cp,gas	522.31	J/mol×K	434.56	Calculated Property
Cp,gas	606.08	J/mol×K	515.33	Calculated Property
Cp,gas	679.55	J/mol×K	596.11	Calculated Property
Cp,gas	743.30	J/mol×K	676.89	Calculated Property
Cp,gas	797.94	J/mol×K	757.67	Calculated Property
Cp,gas	844.07	J/mol×K	838.44	Calculated Property
Cp,gas	882.29	J/mol×K	919.22	Calculated Property
Cp,gas	913.20	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Isobutylcarbamate, N,N-dicyclohexyl.

Sources

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

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