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

InChI

InChI=1S/C19H28BrNO3/c1-3-4-5-6-7-8-9-14-24-18(22)15-21(2)19(23)16-10-12-17(20)13-11-16/h10-13H,3-9,14-15H2,1-2H3

InChI Key

PSJLTWIEOPZETB-UHFFFAOYSA-N

Formula

C19H28BrNO3

SMILES

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

Molecular Weight¹

398.33

• 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°	-25.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-473.95	kJ/mol	Joback Calculated Property
ΔfusH°	51.31	kJ/mol	Joback Calculated Property
ΔvapH°	85.21	kJ/mol	Joback Calculated Property
log10WS	-5.83		Crippen Calculated Property
logPoct/wat	4.815		Crippen Calculated Property
McVol	291.300	ml/mol	McGowan Calculated Property
Pc	1537.87	kPa	Joback Calculated Property
Inp	[2803.00; 2803.00]
Inp	2803.00		NIST
Inp	2803.00		NIST
Tboil	874.54	K	Joback Calculated Property
Tc	1083.90	K	Joback Calculated Property
Tfus	557.19	K	Joback Calculated Property
Vc	1.101	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[873.20; 947.41]	J/mol×K	[874.54; 1083.90]
Cp,gas	873.20	J/mol×K	874.54	Joback Calculated Property
Cp,gas	887.98	J/mol×K	909.43	Joback Calculated Property
Cp,gas	901.72	J/mol×K	944.33	Joback Calculated Property
Cp,gas	914.47	J/mol×K	979.22	Joback Calculated Property
Cp,gas	926.31	J/mol×K	1014.11	Joback Calculated Property
Cp,gas	937.27	J/mol×K	1049.01	Joback Calculated Property
Cp,gas	947.41	J/mol×K	1083.90	Joback Calculated Property

Similar Compounds

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

Sources

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

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