Chemical Properties of Tricaproin (CAS 621-70-5)

InChI

InChI=1S/C21H38O6/c1-4-7-10-13-19(22)25-16-18(27-21(24)15-12-9-6-3)17-26-20(23)14-11-8-5-2/h18H,4-17H2,1-3H3

InChI Key

MAYCICSNZYXLHB-UHFFFAOYSA-N

Formula

C21H38O6

SMILES

CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC

Molecular Weight¹

386.52

CAS

621-70-5

Other Names

• Hexanoic acid, 1,2,3-propanetriyl ester
• Hexanoin, tri-
• Caproic triglyceride
• Glycerol tricaproate
• Glyceryl tricaproate
• Tricapronin
• Trihexanoin
• Trihexanoyl glycerol
• Glycerol trihexanoate
• Hexanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
• NSC 406885
• Tricaproylglycerol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1083.61; 1163.93]	J/mol×K	[908.31; 1112.06]
Cp,gas	1083.61	J/mol×K	908.31	Joback Calculated Property
Cp,gas	1100.42	J/mol×K	942.27	Joback Calculated Property
Cp,gas	1115.85	J/mol×K	976.23	Joback Calculated Property
Cp,gas	1129.91	J/mol×K	1010.19	Joback Calculated Property
Cp,gas	1142.60	J/mol×K	1044.15	Joback Calculated Property
Cp,gas	1153.94	J/mol×K	1078.10	Joback Calculated Property
Cp,gas	1163.93	J/mol×K	1112.06	Joback Calculated Property
Cp,liquid	753.00	J/mol×K	313.00	NIST
η	[0.0000295; 0.0004481]	Pa×s	[527.91; 908.31]
η	0.0004481	Pa×s	527.91	Joback Calculated Property
η	0.0002232	Pa×s	591.31	Joback Calculated Property
η	0.0001273	Pa×s	654.71	Joback Calculated Property
η	0.0000801	Pa×s	718.11	Joback Calculated Property
η	0.0000544	Pa×s	781.51	Joback Calculated Property
η	0.0000391	Pa×s	844.91	Joback Calculated Property
η	0.0000295	Pa×s	908.31	Joback Calculated Property
ΔvapH	[94.20; 99.90]	kJ/mol	[349.00; 383.00]
ΔvapH	99.90	kJ/mol	349.00	NIST
ΔvapH	94.20	kJ/mol	383.00	NIST

Similar Compounds

Find more compounds similar to Tricaproin.

Sources

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

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