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

InChI

InChI=1S/C30H48F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-37-29(36)27(24(2)3)34-28(35)25-20-19-21-26(23-25)30(31,32)33/h19-21,23-24,27H,4-18,22H2,1-3H3,(H,34,35)

InChI Key

CXFGBRXQGARTPD-UHFFFAOYSA-N

Formula

C30H48F3NO3

SMILES

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

Molecular Weight¹

527.70

• 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	1.2602		Relay (1.0) Calculated Property
ΔfG°	-555.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-1502.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	71.37	kJ/mol	Joback Calculated Property
ΔvapH°	136.40	kJ/mol	Relay (1.0) Calculated Property
IE	9.31	eV	Relay (1.0) Calculated Property
log10WS	-8.60		Relay (1.0) Calculated Property
logPoct/wat	8.874		Crippen Calculated Property
McVol	434.100	ml/mol	McGowan Calculated Property
Pc	707.33	kPa	Joback Calculated Property
Inp	[3255.00; 3255.00]
Inp	3255.00		NIST
Inp	3255.00		NIST
Tboil	696.86	K	Relay (1.0) Calculated Property
Tc	921.98	K	Relay (1.0) Calculated Property
Tfus	372.46	K	Relay (1.0) Calculated Property
Vc	1.591	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1549.36; 1646.01]	J/mol×K	[1091.49; 1359.75]
Cp,gas	1549.36	J/mol×K	1091.49	Joback Calculated Property
Cp,gas	1569.13	J/mol×K	1136.20	Joback Calculated Property
Cp,gas	1587.17	J/mol×K	1180.91	Joback Calculated Property
Cp,gas	1603.68	J/mol×K	1225.62	Joback Calculated Property
Cp,gas	1618.86	J/mol×K	1270.33	Joback Calculated Property
Cp,gas	1632.90	J/mol×K	1315.04	Joback Calculated Property
Cp,gas	1646.01	J/mol×K	1359.75	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.