- 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
- Glyceryl triacetate
- Glyped
- Kesscoflex TRA
- Kodaflex triacetin
- NSC 4796
- Triacetine
- Triacetyl glycerin
- Triacetyl glycerine
- Triacetyl glycerol
- Vanay
- glyceryl triethanoate
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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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° | -679.30 | 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° | 23.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.40 | kJ/mol | Relay (1.0) Calculated Property |
| 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 | 2668.02 | 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 | 1344.00 | NIST | |
| Inp | 1339.00 | NIST | |
| Inp | 1282.00 | 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 | 516.24 | K | Relay (1.0) Calculated Property |
| Tc | 673.62 | 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 ± 0.02 | K | NIST |
| Vc | 0.612 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [409.69; 471.09] | J/mol×K | [633.75; 825.52] |
|
| Cp,gas | 409.69 | J/mol×K | 633.75 | Joback Calculated Property |
| Cp,gas | 421.38 | J/mol×K | 665.71 | Joback Calculated Property |
| Cp,gas | 432.51 | J/mol×K | 697.67 | Joback Calculated Property |
| Cp,gas | 443.06 | J/mol×K | 729.63 | Joback Calculated Property |
| Cp,gas | 453.02 | J/mol×K | 761.60 | Joback Calculated Property |
| Cp,gas | 462.37 | J/mol×K | 793.56 | Joback Calculated Property |
| Cp,gas | 471.09 | J/mol×K | 825.52 | 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 | [0.0001565; 0.0014534] | Pa×s | [392.67; 633.75] |
|
| η | 0.0014534 | Pa×s | 392.67 | Joback Calculated Property |
| η | 0.0008437 | Pa×s | 432.85 | Joback Calculated Property |
| η | 0.0005372 | Pa×s | 473.03 | Joback Calculated Property |
| η | 0.0003671 | Pa×s | 513.21 | Joback Calculated Property |
| η | 0.0002651 | Pa×s | 553.39 | Joback Calculated Property |
| η | 0.0002001 | Pa×s | 593.57 | Joback Calculated Property |
| η | 0.0001565 | Pa×s | 633.75 | 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 | 275.30 | 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 | 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 + Sulfur dioxide
- Triacetin + Carbon dioxide
- Triacetin + Furfural + Water
- Triacetin + Formic acid + Water
- Triacetin + Pentanoic acid, 4-oxo- + Water
- Triacetin + Decane
- Triacetin + Water
- Triacetin + Decane + Water
- Triacetin + Hexadecane
- Triacetin + Hexadecane + Water
- n-Hexane + Triacetin
- Propane + Triacetin
- Propane + Triacetin + Carbon dioxide
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
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