Chemical Properties of Sarcosine, n-hexanoyl-, isohexyl ester

InChI

InChI=1S/C15H29NO3/c1-5-6-7-10-14(17)16(4)12-15(18)19-11-8-9-13(2)3/h13H,5-12H2,1-4H3

InChI Key

URYRQKSNOHEUEQ-UHFFFAOYSA-N

Formula

C15H29NO3

SMILES

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

Molecular Weight¹

271.40

• 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°	-179.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-648.06	kJ/mol	Joback Calculated Property
ΔfusH°	38.49	kJ/mol	Joback Calculated Property
ΔvapH°	66.54	kJ/mol	Joback Calculated Property
log10WS	-3.07		Crippen Calculated Property
logPoct/wat	3.004		Crippen Calculated Property
McVol	241.200	ml/mol	McGowan Calculated Property
Pc	1546.35	kPa	Joback Calculated Property
Inp	[1966.00; 1966.00]
Inp	1966.00		NIST
Inp	1966.00		NIST
Tboil	684.76	K	Joback Calculated Property
Tc	861.70	K	Joback Calculated Property
Tfus	398.37	K	Joback Calculated Property
Vc	0.917	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[688.79; 777.50]	J/mol×K	[684.76; 861.70]
Cp,gas	688.79	J/mol×K	684.76	Joback Calculated Property
Cp,gas	705.58	J/mol×K	714.25	Joback Calculated Property
Cp,gas	721.55	J/mol×K	743.74	Joback Calculated Property
Cp,gas	736.70	J/mol×K	773.23	Joback Calculated Property
Cp,gas	751.06	J/mol×K	802.72	Joback Calculated Property
Cp,gas	764.66	J/mol×K	832.21	Joback Calculated Property
Cp,gas	777.50	J/mol×K	861.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, n-hexanoyl-, isohexyl ester.

Sources

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

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