Chemical Properties of Carbonic acid, monoamide, N-isobutyl-, octyl ester

InChI

InChI=1S/C13H27NO2/c1-4-5-6-7-8-9-10-16-13(15)14-11-12(2)3/h12H,4-11H2,1-3H3,(H,14,15)

InChI Key

SQBMGOCMBSQGBE-UHFFFAOYSA-N

Formula

C13H27NO2

SMILES

CCCCCCCCOC(=O)NCC(C)C

Molecular Weight¹

229.36

• ω : Acentric Factor.
• 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).
• 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	0.7668		Relay (1.0) Calculated Property
ΔfG°	-88.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-648.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.79	kJ/mol	Joback Calculated Property
ΔvapH°	76.05	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-4.25		Relay (1.0) Calculated Property
logPoct/wat	3.729		Crippen Calculated Property
McVol	211.450	ml/mol	McGowan Calculated Property
Pc	1737.56	kPa	Joback Calculated Property
Inp	[1677.00; 1677.00]
Inp	1677.00		NIST
Inp	1677.00		NIST
Tboil	541.96	K	Relay (1.0) Calculated Property
Tc	722.61	K	Relay (1.0) Calculated Property
Tfus	261.73	K	Relay (1.0) Calculated Property
Vc	0.802	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[573.77; 662.00]	J/mol×K	[622.86; 797.16]
Cp,gas	573.77	J/mol×K	622.86	Joback Calculated Property
Cp,gas	590.24	J/mol×K	651.91	Joback Calculated Property
Cp,gas	605.99	J/mol×K	680.96	Joback Calculated Property
Cp,gas	621.03	J/mol×K	710.01	Joback Calculated Property
Cp,gas	635.37	J/mol×K	739.06	Joback Calculated Property
Cp,gas	649.02	J/mol×K	768.11	Joback Calculated Property
Cp,gas	662.00	J/mol×K	797.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, monoamide, N-isobutyl-, octyl ester.

Sources

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

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