Chemical Properties of Isobutylcarbamate, N-pentyl

InChI

InChI=1S/C15H31NO2/c1-5-7-9-11-16(12-10-8-6-2)15(17)18-13-14(3)4/h14H,5-13H2,1-4H3

InChI Key

XMENVGIGUYLHTP-UHFFFAOYSA-N

Formula

C15H31NO2

SMILES

CCCCCN(CCCCC)C(=O)OCC(C)C

Molecular Weight¹

257.41

• 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°	-50.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-535.48	kJ/mol	Joback Calculated Property
ΔfusH°	36.89	kJ/mol	Joback Calculated Property
ΔvapH°	59.80	kJ/mol	Joback Calculated Property
log10WS	-4.27		Crippen Calculated Property
logPoct/wat	4.461		Crippen Calculated Property
McVol	239.630	ml/mol	McGowan Calculated Property
Pc	1472.49	kPa	Joback Calculated Property
Inp	[1380.00; 1380.00]
Inp	1380.00		NIST
Inp	1380.00		NIST
Tboil	630.89	K	Joback Calculated Property
Tc	800.00	K	Joback Calculated Property
Tfus	348.44	K	Joback Calculated Property
Vc	0.911	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[661.02; 757.47]	J/mol×K	[630.89; 800.00]
Cp,gas	661.02	J/mol×K	630.89	Joback Calculated Property
Cp,gas	679.02	J/mol×K	659.07	Joback Calculated Property
Cp,gas	696.23	J/mol×K	687.26	Joback Calculated Property
Cp,gas	712.66	J/mol×K	715.44	Joback Calculated Property
Cp,gas	728.33	J/mol×K	743.63	Joback Calculated Property
Cp,gas	743.26	J/mol×K	771.81	Joback Calculated Property
Cp,gas	757.47	J/mol×K	800.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isobutylcarbamate, N-pentyl.

Sources

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

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