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

InChI

InChI=1S/C22H34BrNO3/c1-3-4-5-6-7-8-9-10-11-12-16-27-21(25)18-24(2)22(26)19-14-13-15-20(23)17-19/h13-15,17H,3-12,16,18H2,1-2H3

InChI Key

VPWIQHAIDKKLRJ-UHFFFAOYSA-N

Formula

C22H34BrNO3

SMILES

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

Molecular Weight¹

440.41

• 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°	-0.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-535.87	kJ/mol	Joback Calculated Property
ΔfusH°	59.08	kJ/mol	Joback Calculated Property
ΔvapH°	91.88	kJ/mol	Joback Calculated Property
log10WS	-7.08		Crippen Calculated Property
logPoct/wat	5.985		Crippen Calculated Property
McVol	333.570	ml/mol	McGowan Calculated Property
Pc	1241.58	kPa	Joback Calculated Property
Inp	[3266.00; 3266.00]
Inp	3266.00		NIST
Inp	3266.00		NIST
Tboil	943.18	K	Joback Calculated Property
Tc	1157.35	K	Joback Calculated Property
Tfus	591.00	K	Joback Calculated Property
Vc	1.270	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1052.13; 1130.19]	J/mol×K	[943.18; 1157.35]
Cp,gas	1052.13	J/mol×K	943.18	Joback Calculated Property
Cp,gas	1067.71	J/mol×K	978.87	Joback Calculated Property
Cp,gas	1082.17	J/mol×K	1014.57	Joback Calculated Property
Cp,gas	1095.58	J/mol×K	1050.26	Joback Calculated Property
Cp,gas	1108.01	J/mol×K	1085.96	Joback Calculated Property
Cp,gas	1119.53	J/mol×K	1121.65	Joback Calculated Property
Cp,gas	1130.19	J/mol×K	1157.35	Joback Calculated Property

Similar Compounds

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

Sources

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

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