Chemical Properties of D-Alanine, N-(2,5-difluorobenzoyl)-, nonadecyl ester

InChI

InChI=1S/C29H47F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-35-29(34)24(2)32-28(33)26-23-25(30)20-21-27(26)31/h20-21,23-24H,3-19,22H2,1-2H3,(H,32,33)

InChI Key

DPPIRLHJNBCLEE-UHFFFAOYSA-N

Formula

C29H47F2NO3

SMILES

CCCCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cc(F)ccc1F

Molecular Weight¹

495.69

• 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	1.2917		Relay (1.0) Calculated Property
ΔfG°	-379.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-1207.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	76.25	kJ/mol	Joback Calculated Property
ΔvapH°	140.61	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-8.47		Relay (1.0) Calculated Property
logPoct/wat	8.278		Crippen Calculated Property
McVol	418.240	ml/mol	McGowan Calculated Property
Pc	746.11	kPa	Joback Calculated Property
Inp	[3420.00; 3420.00]
Inp	3420.00		NIST
Inp	3420.00		NIST
Tboil	689.08	K	Relay (1.0) Calculated Property
Tc	920.62	K	Relay (1.0) Calculated Property
Tfus	368.41	K	Relay (1.0) Calculated Property
Vc	1.566	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1478.02; 1564.43]	J/mol×K	[1077.99; 1341.21]
Cp,gas	1478.02	J/mol×K	1077.99	Joback Calculated Property
Cp,gas	1496.98	J/mol×K	1121.86	Joback Calculated Property
Cp,gas	1513.94	J/mol×K	1165.73	Joback Calculated Property
Cp,gas	1529.04	J/mol×K	1209.60	Joback Calculated Property
Cp,gas	1542.40	J/mol×K	1253.47	Joback Calculated Property
Cp,gas	1554.15	J/mol×K	1297.34	Joback Calculated Property
Cp,gas	1564.43	J/mol×K	1341.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-(2,5-difluorobenzoyl)-, nonadecyl ester.

Sources

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

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