Chemical Properties of L-Proline, N-(2,6-difluoro-3-methylbenzoyl)-, pentadecyl ester

InChI

InChI=1S/C28H43F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-34-28(33)24-17-16-20-31(24)27(32)25-23(29)19-18-22(2)26(25)30/h18-19,24H,3-17,20-21H2,1-2H3

InChI Key

UPUCCGVXYKZOEV-UHFFFAOYSA-N

Formula

C28H43F2NO3

SMILES

CCCCCCCCCCCCCCCOC(=O)C1CCCN1C(=O)c1c(F)ccc(C)c1F

Molecular Weight¹

479.64

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	1.1791		Relay (1.0) Calculated Property
ΔfG°	-326.31	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1108.47	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	132.78	kJ/mol	Relay (1.0) Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-7.59		Relay (1.0) Calculated Property
logPoct/wat	7.512		Crippen Calculated Property
McVol	393.290	ml/mol	McGowan Calculated Property
Pc	498.54	kPa	Relay (1.0-beta) Calculated Property
Inp	[3440.00; 3440.00]
Inp	3440.00		NIST
Inp	3440.00		NIST
Tboil	708.78	K	Relay (1.0) Calculated Property
Tc	938.78	K	Relay (1.0) Calculated Property
Tfus	342.08	K	Relay (1.0) Calculated Property
Vc	1.467	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to L-Proline, N-(2,6-difluoro-3-methylbenzoyl)-, pentadecyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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