Chemical Properties of Isobutylcarbamate, N-heptyl

InChI

InChI=1S/C12H25NO2/c1-4-5-6-7-8-9-13-12(14)15-10-11(2)3/h11H,4-10H2,1-3H3,(H,13,14)

InChI Key

XEOBSSBRNKCDGK-UHFFFAOYSA-N

Formula

C12H25NO2

SMILES

CCCCCCCN=C(O)OCC(C)C

Molecular Weight¹

215.33

• Δ_fH°_gas : Enthalpy of formation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-508.31	kJ/mol	Joback Calculated Property
ΔvapH°	64.40	kJ/mol	Joback Calculated Property
log10WS	-3.17		Crippen Calculated Property
logPoct/wat	3.543		Crippen Calculated Property
McVol	197.360	ml/mol	McGowan Calculated Property
Pc	1755.07	kPa	Joback Calculated Property
Inp	[1580.00; 1580.00]
Inp	1580.00		NIST
Inp	1580.00		NIST
Tboil	664.68	K	Joback Calculated Property
Tc	841.25	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isobutylcarbamate, N-heptyl.

Sources

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

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