Chemical Properties of L-Valine, N-(4-methylbenzoyl)-, tetradecyl ester

InChI

InChI=1S/C27H45NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-21-31-27(30)25(22(2)3)28-26(29)24-19-17-23(4)18-20-24/h17-20,22,25H,5-16,21H2,1-4H3,(H,28,29)

InChI Key

OEOHXTKWCOKHOM-UHFFFAOYSA-N

Formula

C27H45NO3

SMILES

CCCCCCCCCCCCCCOC(=O)C(NC(=O)c1ccc(C)cc1)C(C)C

Molecular Weight¹

431.65

• 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°	0.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-690.02	kJ/mol	Joback Calculated Property
ΔfusH°	61.78	kJ/mol	Joback Calculated Property
ΔvapH°	100.20	kJ/mol	Joback Calculated Property
log10WS	-8.56		Crippen Calculated Property
logPoct/wat	6.994		Crippen Calculated Property
McVol	386.520	ml/mol	McGowan Calculated Property
Pc	887.88	kPa	Joback Calculated Property
Inp	[3235.00; 3235.00]
Inp	3235.00		NIST
Inp	3235.00		NIST
Tboil	1028.27	K	Joback Calculated Property
Tc	1260.90	K	Joback Calculated Property
Tfus	577.74	K	Joback Calculated Property
Vc	1.492	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1339.18; 1423.54]	J/mol×K	[1028.27; 1260.90]
Cp,gas	1339.18	J/mol×K	1028.27	Joback Calculated Property
Cp,gas	1356.89	J/mol×K	1067.04	Joback Calculated Property
Cp,gas	1373.03	J/mol×K	1105.81	Joback Calculated Property
Cp,gas	1387.67	J/mol×K	1144.59	Joback Calculated Property
Cp,gas	1400.92	J/mol×K	1183.36	Joback Calculated Property
Cp,gas	1412.85	J/mol×K	1222.13	Joback Calculated Property
Cp,gas	1423.54	J/mol×K	1260.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(4-methylbenzoyl)-, tetradecyl ester.

Sources

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

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