Chemical Properties of Carbonic acid, monoamide, N-tetradecyl-, decyl ester

InChI

InChI=1S/C25H51NO2/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-26-25(27)28-24-22-20-18-12-10-8-6-4-2/h3-24H2,1-2H3,(H,26,27)

InChI Key

JJACPOXTCKVUMI-UHFFFAOYSA-N

Formula

C25H51NO2

SMILES

CCCCCCCCCCCCCCNC(=O)OCCCCCCCCCC

Molecular Weight¹

397.69

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	1.2227		Relay (1.0) Calculated Property
ΔfH°gas	-889.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.97	kJ/mol	Joback Calculated Property
ΔvapH°	132.81	kJ/mol	Relay (1.0) Calculated Property
IE	9.49	eV	Relay (1.0) Calculated Property
log10WS	-8.18		Relay (1.0) Calculated Property
logPoct/wat	8.554		Crippen Calculated Property
McVol	380.530	ml/mol	McGowan Calculated Property
Pc	771.60	kPa	Joback Calculated Property
Inp	[3261.00; 3261.00]
Inp	3261.00		NIST
Inp	3261.00		NIST
Tboil	638.40	K	Relay (1.0) Calculated Property
Tc	848.19	K	Relay (1.0) Calculated Property
Tfus	319.70	K	Relay (1.0) Calculated Property
Vc	1.488	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[568.35; 1354.10]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.36200e+00
Coefficient B			2.40024e+00
Coefficient C			-1.29020e-03
Coefficient D			2.39700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	568.35	J/mol×K	273.00	Calculated Property
Cp,gas	702.65	J/mol×K	353.78	Calculated Property
Cp,gas	823.43	J/mol×K	434.56	Calculated Property
Cp,gas	931.45	J/mol×K	515.33	Calculated Property
Cp,gas	1027.48	J/mol×K	596.11	Calculated Property
Cp,gas	1112.26	J/mol×K	676.89	Calculated Property
Cp,gas	1186.55	J/mol×K	757.67	Calculated Property
Cp,gas	1251.12	J/mol×K	838.44	Calculated Property
Cp,gas	1306.71	J/mol×K	919.22	Calculated Property
Cp,gas	1354.10	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

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

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