Chemical Properties of Sarcosine, N-(4-bromobenzoyl)-, butyl ester

InChI

InChI=1S/C14H18BrNO3/c1-3-4-9-19-13(17)10-16(2)14(18)11-5-7-12(15)8-6-11/h5-8H,3-4,9-10H2,1-2H3

InChI Key

FQAMNBDSEIXDHF-UHFFFAOYSA-N

Formula

C14H18BrNO3

SMILES

CCCCOC(=O)CN(C)C(=O)c1ccc(Br)cc1

Molecular Weight¹

328.20

• 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°	-67.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-370.75	kJ/mol	Joback Calculated Property
ΔfusH°	38.36	kJ/mol	Joback Calculated Property
ΔvapH°	74.08	kJ/mol	Joback Calculated Property
log10WS	-3.73		Crippen Calculated Property
logPoct/wat	2.864		Crippen Calculated Property
McVol	220.850	ml/mol	McGowan Calculated Property
Pc	2333.78	kPa	Joback Calculated Property
Inp	[2268.00; 2268.00]
Inp	2268.00		NIST
Inp	2268.00		NIST
Tboil	760.14	K	Joback Calculated Property
Tc	975.72	K	Joback Calculated Property
Tfus	500.84	K	Joback Calculated Property
Vc	0.822	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[591.33; 658.00]	J/mol×K	[760.14; 975.72]
Cp,gas	591.33	J/mol×K	760.14	Joback Calculated Property
Cp,gas	604.67	J/mol×K	796.07	Joback Calculated Property
Cp,gas	617.07	J/mol×K	832.00	Joback Calculated Property
Cp,gas	628.55	J/mol×K	867.93	Joback Calculated Property
Cp,gas	639.18	J/mol×K	903.86	Joback Calculated Property
Cp,gas	648.98	J/mol×K	939.79	Joback Calculated Property
Cp,gas	658.00	J/mol×K	975.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-bromobenzoyl)-, butyl ester.

Sources

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

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