Chemical Properties of L-Valine, N-(3-trifluoromethylbenzoyl)-, dodecyl ester

InChI

InChI=1S/C25H38F3NO3/c1-4-5-6-7-8-9-10-11-12-13-17-32-24(31)22(19(2)3)29-23(30)20-15-14-16-21(18-20)25(26,27)28/h14-16,18-19,22H,4-13,17H2,1-3H3,(H,29,30)

InChI Key

HUCPSDBHQQOXQQ-UHFFFAOYSA-N

Formula

C25H38F3NO3

SMILES

CCCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(C(F)(F)F)c1)C(C)C

Molecular Weight¹

457.57

• 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°	-597.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-1245.82	kJ/mol	Joback Calculated Property
ΔfusH°	58.42	kJ/mol	Joback Calculated Property
ΔvapH°	92.00	kJ/mol	Joback Calculated Property
log10WS	-8.35		Crippen Calculated Property
logPoct/wat	6.924		Crippen Calculated Property
McVol	363.650	ml/mol	McGowan Calculated Property
Pc	929.51	kPa	Joback Calculated Property
Inp	[2747.00; 2747.00]
Inp	2747.00		NIST
Inp	2747.00		NIST
Tboil	977.09	K	Joback Calculated Property
Tc	1197.09	K	Joback Calculated Property
Tfus	559.39	K	Joback Calculated Property
Vc	1.423	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1234.12; 1316.95]	J/mol×K	[977.09; 1197.09]
Cp,gas	1234.12	J/mol×K	977.09	Joback Calculated Property
Cp,gas	1250.84	J/mol×K	1013.76	Joback Calculated Property
Cp,gas	1266.26	J/mol×K	1050.42	Joback Calculated Property
Cp,gas	1280.50	J/mol×K	1087.09	Joback Calculated Property
Cp,gas	1293.63	J/mol×K	1123.76	Joback Calculated Property
Cp,gas	1305.75	J/mol×K	1160.42	Joback Calculated Property
Cp,gas	1316.95	J/mol×K	1197.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-trifluoromethylbenzoyl)-, dodecyl ester.

Sources

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

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