Chemical Properties of Sarcosine, N-(3-phenylpropionyl)-, isohexyl ester

InChI

InChI=1S/C18H27NO3/c1-15(2)8-7-13-22-18(21)14-19(3)17(20)12-11-16-9-5-4-6-10-16/h4-6,9-10,15H,7-8,11-14H2,1-3H3

InChI Key

VZMGVUQHLBAYMM-UHFFFAOYSA-N

Formula

C18H27NO3

SMILES

CC(C)CCCOC(=O)CN(C)C(=O)CCc1ccccc1

Molecular Weight¹

305.41

• 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°	-41.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-473.45	kJ/mol	Joback Calculated Property
ΔfusH°	40.30	kJ/mol	Joback Calculated Property
ΔvapH°	75.49	kJ/mol	Joback Calculated Property
log10WS	-3.43		Crippen Calculated Property
logPoct/wat	3.057		Crippen Calculated Property
McVol	259.710	ml/mol	McGowan Calculated Property
Pc	1600.00	kPa	Joback Calculated Property
Inp	[2369.00; 2369.00]
Inp	2369.00		NIST
Inp	2369.00		NIST
Tboil	780.08	K	Joback Calculated Property
Tc	980.41	K	Joback Calculated Property
Tfus	458.60	K	Joback Calculated Property
Vc	0.978	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[774.99; 858.23]	J/mol×K	[780.08; 980.41]
Cp,gas	774.99	J/mol×K	780.08	Joback Calculated Property
Cp,gas	791.42	J/mol×K	813.47	Joback Calculated Property
Cp,gas	806.77	J/mol×K	846.86	Joback Calculated Property
Cp,gas	821.08	J/mol×K	880.25	Joback Calculated Property
Cp,gas	834.40	J/mol×K	913.63	Joback Calculated Property
Cp,gas	846.77	J/mol×K	947.02	Joback Calculated Property
Cp,gas	858.23	J/mol×K	980.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(3-phenylpropionyl)-, isohexyl ester.

Sources

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

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