Chemical Properties of Sarcosine, N-valeryl-, isohexyl ester

InChI

InChI=1S/C14H27NO3/c1-5-6-9-13(16)15(4)11-14(17)18-10-7-8-12(2)3/h12H,5-11H2,1-4H3

InChI Key

FLTRRMZRPBGRHB-UHFFFAOYSA-N

Formula

C14H27NO3

SMILES

CCCCC(=O)N(C)CC(=O)OCCCC(C)C

Molecular Weight¹

257.37

• 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°	-187.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-627.42	kJ/mol	Joback Calculated Property
ΔfusH°	35.90	kJ/mol	Joback Calculated Property
ΔvapH°	64.31	kJ/mol	Joback Calculated Property
log10WS	-2.65		Crippen Calculated Property
logPoct/wat	2.614		Crippen Calculated Property
McVol	227.110	ml/mol	McGowan Calculated Property
Pc	1670.06	kPa	Joback Calculated Property
Inp	[1860.00; 1860.00]
Inp	1860.00		NIST
Inp	1860.00		NIST
Tboil	661.88	K	Joback Calculated Property
Tc	839.22	K	Joback Calculated Property
Tfus	387.10	K	Joback Calculated Property
Vc	0.862	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[633.58; 720.24]	J/mol×K	[661.88; 839.22]
Cp,gas	633.58	J/mol×K	661.88	Joback Calculated Property
Cp,gas	649.96	J/mol×K	691.44	Joback Calculated Property
Cp,gas	665.54	J/mol×K	720.99	Joback Calculated Property
Cp,gas	680.34	J/mol×K	750.55	Joback Calculated Property
Cp,gas	694.38	J/mol×K	780.11	Joback Calculated Property
Cp,gas	707.67	J/mol×K	809.66	Joback Calculated Property
Cp,gas	720.24	J/mol×K	839.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-valeryl-, isohexyl ester.

Sources

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

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