Chemical Properties of Carbamic acid, N-(2-methylpropyl)-, 2-methylpropyl ester (CAS 178918-28-0)

InChI

InChI=1S/C9H19NO2/c1-7(2)5-10-9(11)12-6-8(3)4/h7-8H,5-6H2,1-4H3,(H,10,11)

InChI Key

SHYVBTILSIXDJB-UHFFFAOYSA-N

Formula

C9H19NO2

SMILES

CC(C)CN=C(O)OCC(C)C

Molecular Weight¹

173.25

CAS

178918-28-0

Other Names

• Isobutylcarbamate, N-isobutyl

• ω : Acentric Factor.
• Δ_fH°_gas : Enthalpy of formation 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	0.7413		Relay (1.0) Calculated Property
ΔfH°gas	-567.50	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	75.16	kJ/mol	Relay (1.0) Calculated Property
IE	9.55	eV	Relay (1.0) Calculated Property
log10WS	-2.32		Relay (1.0) Calculated Property
logPoct/wat	2.229		Crippen Calculated Property
McVol	155.090	ml/mol	McGowan Calculated Property
Pc	2287.14	kPa	Joback Calculated Property
Inp	[1234.00; 1234.00]
Inp	1234.00		NIST
Inp	1234.00		NIST
Tboil	504.30	K	Relay (1.0) Calculated Property
Tc	676.98	K	Relay (1.0) Calculated Property
Tfus	276.21	K	Relay (1.0) Calculated Property
Vc	0.583	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.

Similar Compounds

Find more compounds similar to Carbamic acid, N-(2-methylpropyl)-, 2-methylpropyl ester.

Sources

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

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