Chemical Properties of D-Alanine, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, nonadecyl ester

InChI

InChI=1S/C30H48F3NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-38-30(36)23(2)34-29(35)24-22-25(31)27(33)28(37-3)26(24)32/h22-23H,4-21H2,1-3H3,(H,34,35)

InChI Key

LGUGFKMFRARDGM-UHFFFAOYSA-N

Formula

C30H48F3NO4

SMILES

CCCCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cc(F)c(F)c(OC)c1F

Molecular Weight¹

543.70

• 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	1.3833		Relay (... Calculated Property
ΔfG°	-689.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-1460.51	kJ/mol	Relay (... Calculated Property
ΔfusH°	82.33	kJ/mol	Joback Calculated Property
ΔvapH°	143.11	kJ/mol	Relay (... Calculated Property
IE	9.07	eV	Relay (... Calculated Property
log10WS	-8.72		Relay (... Calculated Property
logPoct/wat	8.426		Crippen Calculated Property
McVol	439.970	ml/mol	McGowan Calculated Property
Pc	675.00	kPa	Joback Calculated Property
Inp	[3469.00; 3469.00]
Inp	3469.00		NIST
Inp	3469.00		NIST
Tboil	698.32	K	Relay (... Calculated Property
Tc	928.11	K	Relay (... Calculated Property
Tfus	384.04	K	Relay (... Calculated Property
Vc	1.647	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1572.20; 1634.74]	J/mol×K	[1132.52; 1436.45]
Cp,gas	1572.20	J/mol×K	1132.52	Joback Calculated Property
Cp,gas	1589.96	J/mol×K	1183.18	Joback Calculated Property
Cp,gas	1604.61	J/mol×K	1233.83	Joback Calculated Property
Cp,gas	1616.28	J/mol×K	1284.49	Joback Calculated Property
Cp,gas	1625.10	J/mol×K	1335.14	Joback Calculated Property
Cp,gas	1631.21	J/mol×K	1385.80	Joback Calculated Property
Cp,gas	1634.74	J/mol×K	1436.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, nonadecyl ester.

Sources

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

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