Chemical Properties of Decanoic acid, 1,2,3-propanetriyl ester (CAS 621-71-6)

InChI

InChI=1S/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3

InChI Key

LADGBHLMCUINGV-UHFFFAOYSA-N

Formula

C33H62O6

SMILES

CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC

Molecular Weight¹

554.84

CAS

621-71-6

Other Names

• 1,2,3-propanetriyl tridecanoate
• CAPRIC ACID TRIGLYCERIDE
• CAPRIN
• Capric triglyceride
• Decanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
• Decanoin, tri-
• Dynasan 110
• Glycerin tridecanoate
• Glycerol tricaprate
• Glycerol tricaprin
• Glycerol tridecanoate
• Glyceryl tricaprate
• Glyceryl tridecanoate
• NSC 147475
• TRIDECANOIN
• Tricapric glyceride
• Tricaprin
• tri-n-Caprin

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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).
• P_vap : Vapor 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).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-19861.40 ± 1.80	kJ/mol	NIST
ΔfG°	-477.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-1464.13	kJ/mol	Joback Calculated Property
ΔfusH°	86.06	kJ/mol	Joback Calculated Property
ΔvapH°	154.60 ± 5.40	kJ/mol	NIST
log10WS	-10.34		Crippen Calculated Property
logPoct/wat	9.407		Crippen Calculated Property
McVol	498.150	ml/mol	McGowan Calculated Property
Pc	556.25	kPa	Joback Calculated Property
Inp	[3503.90; 3503.90]
Inp	3503.90		NIST
Inp	3503.90		NIST
Tboil	1182.87	K	Joback Calculated Property
Tc	864.00	K	Critica...
Tfus	304.15	K	KDB
Ttriple	[263.60; 305.40]	K
Ttriple	291.20 ± 1.00	K	NIST
Ttriple	305.40 ± 1.00	K	NIST
Ttriple	263.60 ± 1.00	K	NIST
Vc	1.950	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1841.03; 1898.65]	J/mol×K	[1182.87; 1550.32]
T(K) Ideal gas heat capacity (J/mol×K) 1840 1850 1860 1870 1880 1890 1900 1200 1300 1400 1500
Cp,gas	1841.03	J/mol×K	1182.87	Joback Calculated Property
Cp,gas	1862.21	J/mol×K	1244.11	Joback Calculated Property
Cp,gas	1878.30	J/mol×K	1305.35	Joback Calculated Property
Cp,gas	1889.56	J/mol×K	1366.60	Joback Calculated Property
Cp,gas	1896.26	J/mol×K	1427.84	Joback Calculated Property
Cp,gas	1898.65	J/mol×K	1489.08	Joback Calculated Property
Cp,gas	1897.00	J/mol×K	1550.32	Joback Calculated Property
Cp,liquid	1109.00	J/mol×K	313.00	NIST
η	[0.0000042; 0.0000862]	Pa×s	[663.15; 1182.87]
T(K) Dynamic viscosity (Pa×s) 0 2.00e-5 4.00e-5 6.00e-5 8.00e-5 800 1000
η	0.0000862	Pa×s	663.15	Joback Calculated Property
η	0.0000390	Pa×s	749.77	Joback Calculated Property
η	0.0000208	Pa×s	836.39	Joback Calculated Property
η	0.0000124	Pa×s	923.01	Joback Calculated Property
η	0.0000081	Pa×s	1009.63	Joback Calculated Property
η	0.0000057	Pa×s	1096.25	Joback Calculated Property
η	0.0000042	Pa×s	1182.87	Joback Calculated Property
ΔvapH	[124.60; 130.50]	kJ/mol	[411.00; 461.00]
ΔvapH	130.50	kJ/mol	411.00	NIST
ΔvapH	124.60	kJ/mol	461.00	NIST
Pvap	[1.36e-08; 2.27e-07]	kPa	[348.50; 367.81]
T(K) Vapor pressure (kPa) 0 5.00e-8 1.00e-7 1.50e-7 2.00e-7 350 355 360 365
Pvap	1.36e-08	kPa	348.50	Thermod...
Pvap	1.39e-08	kPa	348.50	Thermod...
Pvap	2.90e-08	kPa	353.48	Thermod...
Pvap	2.94e-08	kPa	353.48	Thermod...
Pvap	5.99e-08	kPa	358.38	Thermod...
Pvap	5.99e-08	kPa	358.38	Thermod...
Pvap	1.20e-07	kPa	363.18	Thermod...
Pvap	1.19e-07	kPa	363.18	Thermod...
Pvap	2.27e-07	kPa	367.80	Thermod...
Pvap	2.23e-07	kPa	367.81	Thermod...

Similar Compounds

Find more compounds similar to Decanoic acid, 1,2,3-propanetriyl ester.

Mixtures

• 1-Octanol + Decanoic acid, 1,2,3-propanetriyl ester
• n-Hexane + Dodecanoic acid + Decanoic acid, 1,2,3-propanetriyl ester
• Dodecanoic acid + 1-Hexanol + Decanoic acid, 1,2,3-propanetriyl ester
• Dodecanoic acid + 1-Pentanol + Decanoic acid, 1,2,3-propanetriyl ester
• Dodecanoic acid + 1-Butanol + Decanoic acid, 1,2,3-propanetriyl ester
• 1-Propanol + Dodecanoic acid + Decanoic acid, 1,2,3-propanetriyl ester
• Isopropyl Alcohol + Dodecanoic acid + Decanoic acid, 1,2,3-propanetriyl ester

Sources

• Crippen Method
• Crippen Method
• Physical properties of systems of interest to the edible oil industry: Viscosities and densities of model systems formed by (triacylglycerol + fatty acid + solvent)
• Critical properties, heat capacities, and thermal diffusivities of four saturated triglycerides
• Thermodynamic Modeling of Triglycerides using PC-SAFT
• Joback Method
• KDB
• 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.