Chemical Properties of Sarcosine, N-(2-bromobenzoyl)-, decyl ester

InChI

InChI=1S/C20H30BrNO3/c1-3-4-5-6-7-8-9-12-15-25-19(23)16-22(2)20(24)17-13-10-11-14-18(17)21/h10-11,13-14H,3-9,12,15-16H2,1-2H3

InChI Key

LSAOGMWTHDGDRK-UHFFFAOYSA-N

Formula

C20H30BrNO3

SMILES

CCCCCCCCCCOC(=O)CN(C)C(=O)c1ccccc1Br

Molecular Weight¹

412.36

• 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°	-17.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-494.59	kJ/mol	Joback Calculated Property
ΔfusH°	53.90	kJ/mol	Joback Calculated Property
ΔvapH°	87.43	kJ/mol	Joback Calculated Property
log10WS	-6.25		Crippen Calculated Property
logPoct/wat	5.205		Crippen Calculated Property
McVol	305.390	ml/mol	McGowan Calculated Property
Pc	1428.30	kPa	Joback Calculated Property
Inp	[2874.00; 2874.00]
Inp	2874.00		NIST
Inp	2874.00		NIST
Tboil	897.42	K	Joback Calculated Property
Tc	1107.57	K	Joback Calculated Property
Tfus	568.46	K	Joback Calculated Property
Vc	1.157	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[932.14; 1007.60]	J/mol×K	[897.42; 1107.57]
Cp,gas	932.14	J/mol×K	897.42	Joback Calculated Property
Cp,gas	947.17	J/mol×K	932.44	Joback Calculated Property
Cp,gas	961.14	J/mol×K	967.47	Joback Calculated Property
Cp,gas	974.11	J/mol×K	1002.49	Joback Calculated Property
Cp,gas	986.14	J/mol×K	1037.52	Joback Calculated Property
Cp,gas	997.28	J/mol×K	1072.54	Joback Calculated Property
Cp,gas	1007.60	J/mol×K	1107.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2-bromobenzoyl)-, decyl ester.

Sources

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

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