Chemical Properties of Sarcosine, N-(3-bromobenzoyl)-, hexyl ester

InChI

InChI=1S/C16H22BrNO3/c1-3-4-5-6-10-21-15(19)12-18(2)16(20)13-8-7-9-14(17)11-13/h7-9,11H,3-6,10,12H2,1-2H3

InChI Key

WURIUMBGJFLSPD-UHFFFAOYSA-N

Formula

C16H22BrNO3

SMILES

CCCCCCOC(=O)CN(C)C(=O)c1cccc(Br)c1

Molecular Weight¹

356.25

• 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°	-51.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-412.03	kJ/mol	Joback Calculated Property
ΔfusH°	43.54	kJ/mol	Joback Calculated Property
ΔvapH°	78.53	kJ/mol	Joback Calculated Property
log10WS	-4.57		Crippen Calculated Property
logPoct/wat	3.645		Crippen Calculated Property
McVol	249.030	ml/mol	McGowan Calculated Property
Pc	1954.41	kPa	Joback Calculated Property
Inp	[2466.00; 2466.00]
Inp	2466.00		NIST
Inp	2466.00		NIST
Tboil	805.90	K	Joback Calculated Property
Tc	1017.15	K	Joback Calculated Property
Tfus	523.38	K	Joback Calculated Property
Vc	0.933	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[701.25; 771.41]	J/mol×K	[805.90; 1017.15]
Cp,gas	701.25	J/mol×K	805.90	Joback Calculated Property
Cp,gas	715.25	J/mol×K	841.11	Joback Calculated Property
Cp,gas	728.26	J/mol×K	876.32	Joback Calculated Property
Cp,gas	740.33	J/mol×K	911.52	Joback Calculated Property
Cp,gas	751.52	J/mol×K	946.73	Joback Calculated Property
Cp,gas	761.86	J/mol×K	981.94	Joback Calculated Property
Cp,gas	771.41	J/mol×K	1017.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(3-bromobenzoyl)-, hexyl ester.

Sources

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

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