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

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

• ω : Acentric Factor.
• 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_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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.