Chemical Properties of «beta»-Alanine, N-cyclohexylcarbonyl-, tetradecyl ester

InChI

InChI=1S/C24H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-21-28-23(26)19-20-25-24(27)22-17-14-13-15-18-22/h22H,2-21H2,1H3,(H,25,27)

InChI Key

BGFKYKHYNJJJNI-UHFFFAOYSA-N

Formula

C24H45NO3

SMILES

CCCCCCCCCCCCCCOC(=O)CCNC(=O)C1CCCCC1

Molecular Weight¹

395.62

• 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	1.0794		Relay (1.0) Calculated Property
ΔfG°	-97.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-937.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.24	kJ/mol	Joback Calculated Property
ΔvapH°	124.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-6.24		Relay (1.0) Calculated Property
logPoct/wat	6.317		Crippen Calculated Property
McVol	357.150	ml/mol	McGowan Calculated Property
Pc	979.62	kPa	Joback Calculated Property
Inp	[3250.00; 3250.00]
Inp	3250.00		NIST
Inp	3250.00		NIST
Tboil	673.63	K	Relay (1.0) Calculated Property
Tc	894.47	K	Relay (1.0) Calculated Property
Tfus	343.49	K	Relay (1.0) Calculated Property
Vc	1.327	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1248.50; 1342.26]	J/mol×K	[948.40; 1161.11]
Cp,gas	1248.50	J/mol×K	948.40	Joback Calculated Property
Cp,gas	1267.75	J/mol×K	983.85	Joback Calculated Property
Cp,gas	1285.48	J/mol×K	1019.30	Joback Calculated Property
Cp,gas	1301.73	J/mol×K	1054.75	Joback Calculated Property
Cp,gas	1316.57	J/mol×K	1090.21	Joback Calculated Property
Cp,gas	1330.06	J/mol×K	1125.66	Joback Calculated Property
Cp,gas	1342.26	J/mol×K	1161.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-cyclohexylcarbonyl-, tetradecyl ester.

Sources

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

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