Chemical Properties of Triacetin (CAS 102-76-1)

InChI

InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3

InChI Key

URAYPUMNDPQOKB-UHFFFAOYSA-N

Formula

C9H14O6

SMILES

CC(=O)OCC(COC(C)=O)OC(C)=O

Molecular Weight¹

218.20

CAS

102-76-1

Other Names

• 1,2,3-Propanetriol, 1,2,3-triacetate
• 1,2,3-Propanetriol, triacetate
• 1,2,3-propanetriol triacetate
• 1,2,3-propanetriol triethanoate
• 2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetate
• Acetin, tri-
• Enzactin
• Fungacetin
• Glycerin triacetate
• Glycerol triacetate
• Glycerol, acetylated
• Glyped
• Kesscoflex TRA
• Kodaflex triacetin
• NSC 4796
• Triacetine
• Triacetyl glycerin
• Triacetyl glycerine
• Triacetyl glycerol
• Vanay
• glyceryl triacetate
• glyceryl triethanoate

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid 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_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• 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
ω	0.6584		Relay (1.0) Calculated Property
ΔcH°liquid	-4211.60 ± 4.20	kJ/mol	NIST
η	0.0163600	Pa×s	Solubilities and Thermodynamic Properties of Carbon Dioxide in Some Biobased Solvents
ΔfG°	-908.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1174.30	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-1330.80 ± 4.20	kJ/mol	NIST
ΔfusH°	28.65	kJ/mol	Joback Calculated Property
ΔvapH°	[81.90; 85.74]	kJ/mol
ΔvapH°	81.90 ± 0.30	kJ/mol	NIST
ΔvapH°	83.80 ± 0.90	kJ/mol	NIST
ΔvapH°	85.74 ± 0.30	kJ/mol	NIST
ΔvapH°	85.70 ± 0.30	kJ/mol	NIST
ΔvapH°	83.40 ± 1.00	kJ/mol	NIST
ΔvapH°	82.00 ± 0.20	kJ/mol	NIST
IE	9.67	eV	Relay (1.0) Calculated Property
log10WS	[-0.60; -0.60]
log10WS	-0.60		Aq. Solubility Prediction
log10WS	-0.60		Estimated Solubility
logPoct/wat	0.044		Crippen Calculated Property
McVol	159.990	ml/mol	McGowan Calculated Property
Pc	2358.78	kPa	Joback Calculated Property
Inp	[1282.00; 1350.00]
Inp	1285.00		NIST
Inp	1348.00		NIST
Inp	1282.00		NIST
Inp	1344.00		NIST
Inp	1306.00		NIST
Inp	1313.00		NIST
Inp	1310.00		NIST
Inp	1308.00		NIST
Inp	1305.00		NIST
Inp	1350.00		NIST
Inp	1339.00		NIST
Inp	1346.00		NIST
Inp	1344.40		NIST
Inp	1282.00		NIST
Inp	1282.00		NIST
Inp	1344.00		NIST
Inp	1339.00		NIST
Inp	1350.00		NIST
I	[2029.00; 2103.00]
I	2077.00		NIST
I	2103.00		NIST
I	2029.00		NIST
S°liquid	458.30	J/mol×K	NIST
Tboil	[432.00; 532.20]	K
Tboil	532.20	K	NIST
Tboil	532.00 ± 5.00	K	NIST
Tboil	531.15	K	NIST
Tboil	532.00 ± 2.00	K	NIST
Tboil	531.00 ± 3.00	K	NIST
Tboil	532.00 ± 3.00	K	NIST
Tboil	Outlier 432.00 ± 4.00	K	NIST
Tc	677.40	K	Relay (1.0) Calculated Property
Tfus	[195.00; 294.90]	K
Tfus	294.90	K	Aq. Solubility Prediction
Tfus	195.00 ± 10.00	K	NIST
Tfus	277.15 ± 0.80	K	NIST
Tfus	277.30 ± 0.50	K	NIST
Tfus	276.40 ± 2.00	K	NIST
Tfus	213.00 ± 50.00	K	NIST
Ttriple	[275.25; 275.25]	K
Ttriple	275.25 ± 0.02	K	NIST
Ttriple	275.25 ± 0.02	K	NIST
Vc	0.615	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[398.24; 462.50]	J/mol×K	[579.74; 764.44]
Cp,gas	398.24	J/mol×K	579.74	Joback Calculated Property
Cp,gas	410.53	J/mol×K	610.52	Joback Calculated Property
Cp,gas	422.21	J/mol×K	641.31	Joback Calculated Property
Cp,gas	433.26	J/mol×K	672.09	Joback Calculated Property
Cp,gas	443.67	J/mol×K	702.87	Joback Calculated Property
Cp,gas	453.42	J/mol×K	733.65	Joback Calculated Property
Cp,gas	462.50	J/mol×K	764.44	Joback Calculated Property
Cp,liquid	[384.70; 402.00]	J/mol×K	[298.15; 300.00]
Cp,liquid	389.00	J/mol×K	298.15	NIST
Cp,liquid	402.00	J/mol×K	298.15	NIST
Cp,liquid	384.70	J/mol×K	300.00	NIST
η	[0.0001230; 0.0050803]	Pa×s	[303.18; 579.74]
η	0.0050803	Pa×s	303.18	Joback Calculated Property
η	0.0018148	Pa×s	349.27	Joback Calculated Property
η	0.0008242	Pa×s	395.37	Joback Calculated Property
η	0.0004414	Pa×s	441.46	Joback Calculated Property
η	0.0002660	Pa×s	487.55	Joback Calculated Property
η	0.0001749	Pa×s	533.65	Joback Calculated Property
η	0.0001230	Pa×s	579.74	Joback Calculated Property
ΔfusH	[25.80; 25.80]	kJ/mol	[275.25; 275.30]
ΔfusH	25.80	kJ/mol	275.25	NIST
ΔfusH	25.80	kJ/mol	275.25	NIST
ΔfusH	25.80	kJ/mol	275.30	NIST
ΔfusH	25.80	kJ/mol	275.30	NIST
ΔvapH	82.00	kJ/mol	301.50	NIST
ρl	[1109.40; 1158.30]	kg/m3	[293.15; 338.15]
ρl	1158.30	kg/m3	293.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	1152.90	kg/m3	298.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	1147.40	kg/m3	303.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	1142.00	kg/m3	308.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	1136.60	kg/m3	313.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	1131.10	kg/m3	318.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	1125.70	kg/m3	323.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	1120.20	kg/m3	328.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	1114.80	kg/m3	333.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ρl	1109.40	kg/m3	338.15	Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
ΔfusS	[93.80; 93.80]	J/mol×K	[275.25; 275.25]
ΔfusS	93.80	J/mol×K	275.25	NIST
ΔfusS	93.80	J/mol×K	275.25	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[408.35; 561.43]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.58272e+01
Coefficient B			-4.97924e+03
Coefficient C			-8.79290e+01
Temperature range, min.			408.35
Temperature range, max.			561.43
Pvap	1.33	kPa	408.35	Calculated Property
Pvap	2.92	kPa	425.36	Calculated Property
Pvap	5.92	kPa	442.37	Calculated Property
Pvap	11.27	kPa	459.38	Calculated Property
Pvap	20.27	kPa	476.39	Calculated Property
Pvap	34.71	kPa	493.39	Calculated Property
Pvap	56.90	kPa	510.40	Calculated Property
Pvap	89.79	kPa	527.41	Calculated Property
Pvap	136.95	kPa	544.42	Calculated Property
Pvap	202.64	kPa	561.43	Calculated Property

Similar Compounds

Find more compounds similar to Triacetin.

Mixtures

• Triacetin + Hexadecane
• Triacetin + Hexadecane + Water
• Triacetin + Decane
• Triacetin + Water
• Triacetin + Decane + Water
• Triacetin + Sulfur dioxide
• n-Hexane + Triacetin
• Propane + Triacetin
• Triacetin + Carbon dioxide
• Propane + Triacetin + Carbon dioxide
• Triacetin + Furfural + Water
• Triacetin + Formic acid + Water
• Triacetin + Pentanoic acid, 4-oxo- + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Experimental measurement and modeling of the Type 3 ternary system containing (decane + water + triacetin)
• Experimental measurement and prediction of (liquid + liquid + liquid) equilibrium for the system (n-hexadecane + water + triacetin)
• Investigation of SO2 solubilities in some biobased solvents and their thermodynamic properties
• Solubilities and Thermodynamic Properties of Carbon Dioxide in Some Biobased Solvents
• Liquid-Liquid Equilibria of Formic Acid and Furfural in a Biphasic Aqueous-Organic System: Optimization of Solvent and Amine Extractant
• Liquid-Liquid-Supercritical Fluid Equilibria for Systems Containing Carbon Dioxide, Propane, and Triglycerides
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.