Chemical Properties of Sarcosine, N-(4-butylbenzoyl)-, undecyl ester

InChI

InChI=1S/C25H41NO3/c1-4-6-8-9-10-11-12-13-14-20-29-24(27)21-26(3)25(28)23-18-16-22(17-19-23)15-7-5-2/h16-19H,4-15,20-21H2,1-3H3

InChI Key

IYQWDIHFTUJHID-UHFFFAOYSA-N

Formula

C25H41NO3

SMILES

CCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(CCCC)cc1

Molecular Weight¹

403.60

• 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°	10.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-624.12	kJ/mol	Joback Calculated Property
ΔfusH°	61.56	kJ/mol	Joback Calculated Property
ΔvapH°	92.13	kJ/mol	Joback Calculated Property
log10WS	-7.14		Crippen Calculated Property
logPoct/wat	6.175		Crippen Calculated Property
McVol	358.340	ml/mol	McGowan Calculated Property
Pc	979.62	kPa	Joback Calculated Property
Inp	[3298.00; 3298.00]
Inp	3298.00		NIST
Inp	3298.00		NIST
Tboil	945.66	K	Joback Calculated Property
Tc	1157.78	K	Joback Calculated Property
Tfus	565.01	K	Joback Calculated Property
Vc	1.375	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1195.00; 1284.59]	J/mol×K	[945.66; 1157.78]
Cp,gas	1195.00	J/mol×K	945.66	Joback Calculated Property
Cp,gas	1212.99	J/mol×K	981.01	Joback Calculated Property
Cp,gas	1229.67	J/mol×K	1016.37	Joback Calculated Property
Cp,gas	1245.10	J/mol×K	1051.72	Joback Calculated Property
Cp,gas	1259.35	J/mol×K	1087.07	Joback Calculated Property
Cp,gas	1272.49	J/mol×K	1122.43	Joback Calculated Property
Cp,gas	1284.59	J/mol×K	1157.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-butylbenzoyl)-, undecyl ester.

Sources

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

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