Chemical Properties of Sarcosine, N-(4-chlorobenzoyl)-, dodecyl ester

InChI

InChI=1S/C22H34ClNO3/c1-3-4-5-6-7-8-9-10-11-12-17-27-21(25)18-24(2)22(26)19-13-15-20(23)16-14-19/h13-16H,3-12,17-18H2,1-2H3

InChI Key

APPPTNVALNXEJO-UHFFFAOYSA-N

Formula

C22H34ClNO3

SMILES

CCCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(Cl)cc1

Molecular Weight¹

395.96

• 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°	-26.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-577.94	kJ/mol	Joback Calculated Property
ΔfusH°	57.99	kJ/mol	Joback Calculated Property
ΔvapH°	89.83	kJ/mol	Joback Calculated Property
log10WS	-6.60		Crippen Calculated Property
logPoct/wat	5.876		Crippen Calculated Property
McVol	328.310	ml/mol	McGowan Calculated Property
Pc	1153.78	kPa	Joback Calculated Property
Inp	[3099.00; 3099.00]
Inp	3099.00		NIST
Inp	3099.00		NIST
Tboil	914.45	K	Joback Calculated Property
Tc	1122.44	K	Joback Calculated Property
Tfus	561.12	K	Joback Calculated Property
Vc	1.256	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1038.17; 1117.98]	J/mol×K	[914.45; 1122.44]
Cp,gas	1038.17	J/mol×K	914.45	Joback Calculated Property
Cp,gas	1054.18	J/mol×K	949.11	Joback Calculated Property
Cp,gas	1069.03	J/mol×K	983.78	Joback Calculated Property
Cp,gas	1082.78	J/mol×K	1018.44	Joback Calculated Property
Cp,gas	1095.49	J/mol×K	1053.11	Joback Calculated Property
Cp,gas	1107.20	J/mol×K	1087.77	Joback Calculated Property
Cp,gas	1117.98	J/mol×K	1122.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-chlorobenzoyl)-, dodecyl ester.

Sources

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

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