Chemical Properties of L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, heptyl ester

InChI

InChI=1S/C20H28F3NO4/c1-5-6-7-8-9-10-28-20(26)17(12(2)3)24-19(25)13-11-14(21)16(23)18(27-4)15(13)22/h11-12,17H,5-10H2,1-4H3,(H,24,25)

InChI Key

IUQQNBMCZAMLQD-UHFFFAOYSA-N

Formula

C20H28F3NO4

SMILES

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

Molecular Weight¹

403.44

• 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).
• 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
ΔfG°	-776.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1300.50	kJ/mol	Joback Calculated Property
ΔfusH°	52.91	kJ/mol	Joback Calculated Property
ΔvapH°	86.56	kJ/mol	Joback Calculated Property
log10WS	-6.27		Crippen Calculated Property
logPoct/wat	4.380		Crippen Calculated Property
McVol	299.070	ml/mol	McGowan Calculated Property
Pc	1204.80	kPa	Joback Calculated Property
Inp	[2451.00; 2451.00]
Inp	2451.00		NIST
Inp	2451.00		NIST
Tboil	903.28	K	Joback Calculated Property
Tc	1106.92	K	Joback Calculated Property
Tfus	560.41	K	Joback Calculated Property
Vc	1.173	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[957.11; 1024.94]	J/mol×K	[903.28; 1106.92]
Cp,gas	957.11	J/mol×K	903.28	Joback Calculated Property
Cp,gas	971.41	J/mol×K	937.22	Joback Calculated Property
Cp,gas	984.50	J/mol×K	971.16	Joback Calculated Property
Cp,gas	996.38	J/mol×K	1005.10	Joback Calculated Property
Cp,gas	1007.08	J/mol×K	1039.04	Joback Calculated Property
Cp,gas	1016.59	J/mol×K	1072.98	Joback Calculated Property
Cp,gas	1024.94	J/mol×K	1106.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, heptyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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