Chemical Properties of L-Valine, N-(3-bromobenzoyl)-, tetradecyl ester

InChI

InChI=1S/C26H42BrNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-31-26(30)24(21(2)3)28-25(29)22-17-16-18-23(27)20-22/h16-18,20-21,24H,4-15,19H2,1-3H3,(H,28,29)

InChI Key

NYHQIRUXKFDJTP-UHFFFAOYSA-N

Formula

C26H42BrNO3

SMILES

CCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(Br)c1)C(C)C

Molecular Weight¹

496.52

• 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°	6.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-643.05	kJ/mol	Joback Calculated Property
ΔfusH°	64.47	kJ/mol	Joback Calculated Property
ΔvapH°	104.40	kJ/mol	Joback Calculated Property
log10WS	-9.25		Crippen Calculated Property
logPoct/wat	7.448		Crippen Calculated Property
McVol	389.930	ml/mol	McGowan Calculated Property
Pc	982.08	kPa	Joback Calculated Property
Inp	[3368.00; 3368.00]
Inp	3368.00		NIST
Inp	3368.00		NIST
Tboil	1071.55	K	Joback Calculated Property
Tc	1313.88	K	Joback Calculated Property
Tfus	626.27	K	Joback Calculated Property
Vc	1.498	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1314.86; 1391.78]	J/mol×K	[1071.55; 1313.88]
Cp,gas	1314.86	J/mol×K	1071.55	Joback Calculated Property
Cp,gas	1330.86	J/mol×K	1111.94	Joback Calculated Property
Cp,gas	1345.45	J/mol×K	1152.33	Joback Calculated Property
Cp,gas	1358.73	J/mol×K	1192.72	Joback Calculated Property
Cp,gas	1370.81	J/mol×K	1233.10	Joback Calculated Property
Cp,gas	1381.79	J/mol×K	1273.49	Joback Calculated Property
Cp,gas	1391.78	J/mol×K	1313.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-bromobenzoyl)-, tetradecyl ester.

Sources

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

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