- 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.
- 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.
- Ip : 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° | -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 | |
| Ip | [2029.00; 2103.00] |
|
|
| Ip | 2077.00 | NIST | |
| Ip | 2103.00 | NIST | |
| Ip | 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 | 276.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| 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
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.10; 508.51] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 6.92520e+01 | |||
| Coefficient B | 7.00360e-01 | |||
| Coefficient C | -1.85200e-04 | |||
| Coefficient D | -7.59000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 245.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 290.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 332.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 370.60 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 404.86 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 434.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 460.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 481.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 497.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 508.51 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [408.35; 561.43] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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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