Chemical Properties of Carbonic acid, monoamide, N-hexyl-, hexyl ester

InChI

InChI=1S/C13H27NO2/c1-3-5-7-9-11-14-13(15)16-12-10-8-6-4-2/h3-12H2,1-2H3,(H,14,15)

InChI Key

GPCBZVSTZUJMHD-UHFFFAOYSA-N

Formula

C13H27NO2

SMILES

CCCCCCNC(=O)OCCCCCC

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	0.8011		Relay (1.0) Calculated Property
ΔfG°	-85.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-642.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.31	kJ/mol	Joback Calculated Property
ΔvapH°	82.94	kJ/mol	Relay (1.0) Calculated Property
IE	9.19	eV	Relay (1.0) Calculated Property
log10WS	-4.13		Relay (1.0) Calculated Property
logPoct/wat	3.873		Crippen Calculated Property
McVol	211.450	ml/mol	McGowan Calculated Property
Pc	1726.03	kPa	Joback Calculated Property
Inp	[1723.00; 1723.00]
Inp	1723.00		NIST
Inp	1723.00		NIST
Tboil	552.07	K	Relay (1.0) Calculated Property
Tc	743.14	K	Relay (1.0) Calculated Property
Tfus	268.20	K	Relay (1.0) Calculated Property
Vc	0.812	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[573.38; 660.30]	J/mol×K	[623.30; 794.98]
Cp,gas	573.38	J/mol×K	623.30	Joback Calculated Property
Cp,gas	589.56	J/mol×K	651.91	Joback Calculated Property
Cp,gas	605.06	J/mol×K	680.53	Joback Calculated Property
Cp,gas	619.86	J/mol×K	709.14	Joback Calculated Property
Cp,gas	634.00	J/mol×K	737.75	Joback Calculated Property
Cp,gas	647.47	J/mol×K	766.37	Joback Calculated Property
Cp,gas	660.30	J/mol×K	794.98	Joback Calculated Property

Similar Compounds

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

Sources

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

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