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

InChI

InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-13-14-19-29-25(28)23(20(2)3)26-24(27)22-17-15-21(4)16-18-22/h15-18,20,23H,5-14,19H2,1-4H3,(H,26,27)

InChI Key

JOMFLMSRHRLOHZ-UHFFFAOYSA-N

Formula

C25H41NO3

SMILES

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

Molecular Weight¹

403.60

• 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°	-15.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-648.74	kJ/mol	Joback Calculated Property
ΔfusH°	56.60	kJ/mol	Joback Calculated Property
ΔvapH°	95.74	kJ/mol	Joback Calculated Property
log10WS	-7.72		Crippen Calculated Property
logPoct/wat	6.214		Crippen Calculated Property
McVol	358.340	ml/mol	McGowan Calculated Property
Pc	998.91	kPa	Joback Calculated Property
Inp	[3013.00; 3013.00]
Inp	3013.00		NIST
Inp	3013.00		NIST
Tboil	982.51	K	Joback Calculated Property
Tc	1202.87	K	Joback Calculated Property
Tfus	555.20	K	Joback Calculated Property
Vc	1.381	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1213.73; 1296.35]	J/mol×K	[982.51; 1202.87]
Cp,gas	1213.73	J/mol×K	982.51	Joback Calculated Property
Cp,gas	1230.81	J/mol×K	1019.24	Joback Calculated Property
Cp,gas	1246.47	J/mol×K	1055.96	Joback Calculated Property
Cp,gas	1260.80	J/mol×K	1092.69	Joback Calculated Property
Cp,gas	1273.84	J/mol×K	1129.42	Joback Calculated Property
Cp,gas	1285.67	J/mol×K	1166.15	Joback Calculated Property
Cp,gas	1296.35	J/mol×K	1202.87	Joback Calculated Property

Similar Compounds

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

Sources

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

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