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

InChI

InChI=1S/C15H20BrNO3/c1-3-4-5-10-20-14(18)11-17(2)15(19)12-6-8-13(16)9-7-12/h6-9H,3-5,10-11H2,1-2H3

InChI Key

XGDQXNCSDKIEFT-UHFFFAOYSA-N

Formula

C15H20BrNO3

SMILES

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

Molecular Weight¹

342.23

• 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°	-59.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-391.39	kJ/mol	Joback Calculated Property
ΔfusH°	40.95	kJ/mol	Joback Calculated Property
ΔvapH°	76.30	kJ/mol	Joback Calculated Property
log10WS	-4.15		Crippen Calculated Property
logPoct/wat	3.254		Crippen Calculated Property
McVol	234.940	ml/mol	McGowan Calculated Property
Pc	2131.49	kPa	Joback Calculated Property
Inp	[2371.00; 2371.00]
Inp	2371.00		NIST
Inp	2371.00		NIST
Tboil	783.02	K	Joback Calculated Property
Tc	996.16	K	Joback Calculated Property
Tfus	512.11	K	Joback Calculated Property
Vc	0.877	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[645.77; 714.30]	J/mol×K	[783.02; 996.16]
Cp,gas	645.77	J/mol×K	783.02	Joback Calculated Property
Cp,gas	659.46	J/mol×K	818.54	Joback Calculated Property
Cp,gas	672.19	J/mol×K	854.07	Joback Calculated Property
Cp,gas	683.99	J/mol×K	889.59	Joback Calculated Property
Cp,gas	694.91	J/mol×K	925.11	Joback Calculated Property
Cp,gas	705.00	J/mol×K	960.63	Joback Calculated Property
Cp,gas	714.30	J/mol×K	996.16	Joback Calculated Property

Similar Compounds

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

Sources

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

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