- InChI
- InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3
- InChI Key
- UYXTWWCETRIEDR-UHFFFAOYSA-N
- Formula
- C15H26O6
- SMILES
-
CCCC(=O)OCC(COC(=O)CCC)OC(=O)C
CC - Molecular Weight1
- 302.36
- CAS
- 60-01-5
- Other Names
-
- 1,2,3-Propanetriol, tributyrate
- 1,2,3-propanetriyl tributanoate
- Butanoic acid, 1,2,3-propanetriyl ester
- Butyric acid triester with glycerin
- Butyrin
- Butyrin, tri-
- Butyryl triglyceride
- Glycerin tributyrate
- Glycerol tributyrate
- Glyceroltributyrin
- NSC 661583
- Tri-n-butyrin
- Tributin
- Tributyroin
- Tributyryl glyceride
- glycerol tributanoate
- glyceryl tributyrate
- propane-1,2,3-triyl tributyrate
- tributyrylglycerol
- 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).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboil : Boiling point at given pressure (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (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 | 0.8841 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -8122.40 | kJ/mol | NIST |
| ΔfH°gas | -1287.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [84.90; 107.10] | kJ/mol |
|
| ΔvapH° | 107.07 | kJ/mol | NIST |
| ΔvapH° | 84.90 ± 2.50 | kJ/mol | NIST |
| ΔvapH° | 107.10 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 107.10 ± 1.00 | kJ/mol | NIST |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.385 | Crippen Calculated Property | |
| McVol | 244.530 | ml/mol | McGowan Calculated Property |
| Pc | 1440.25 | kPa | Joback Calculated Property |
| Inp | [1812.00; 1816.00] |
|
|
| Inp | 1816.00 | NIST | |
| Inp | 1815.00 | NIST | |
| Inp | 1813.00 | NIST | |
| Inp | 1812.00 | NIST | |
| Tboil | 580.70 | K | NIST |
| Tc | 735.66 | K | Relay (1.0) Calculated Property |
| Tfus | 236.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.938 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [709.99; 788.04] | J/mol×K | [717.02; 895.89] |
|
| Cp,gas | 709.99 | J/mol×K | 717.02 | Joback Calculated Property |
| Cp,gas | 725.32 | J/mol×K | 746.83 | Joback Calculated Property |
| Cp,gas | 739.72 | J/mol×K | 776.64 | Joback Calculated Property |
| Cp,gas | 753.20 | J/mol×K | 806.45 | Joback Calculated Property |
| Cp,gas | 765.74 | J/mol×K | 836.27 | Joback Calculated Property |
| Cp,gas | 777.36 | J/mol×K | 866.08 | Joback Calculated Property |
| Cp,gas | 788.04 | J/mol×K | 895.89 | Joback Calculated Property |
| Cp,liquid | [555.30; 569.00] | J/mol×K | [298.15; 313.00] |
|
| Cp,liquid | 555.30 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 569.00 | J/mol×K | 313.00 | NIST |
| η | [0.0000520; 0.0023602] | Pa×s | [370.80; 717.02] |
|
| η | 0.0023602 | Pa×s | 370.80 | Joback Calculated Property |
| η | 0.0008144 | Pa×s | 428.50 | Joback Calculated Property |
| η | 0.0003618 | Pa×s | 486.21 | Joback Calculated Property |
| η | 0.0001909 | Pa×s | 543.91 | Joback Calculated Property |
| η | 0.0001139 | Pa×s | 601.61 | Joback Calculated Property |
| η | 0.0000744 | Pa×s | 659.32 | Joback Calculated Property |
| η | 0.0000520 | Pa×s | 717.02 | Joback Calculated Property |
| ΔvapH | [81.40; 83.50] | kJ/mol | [308.00; 341.00] |
|
| ΔvapH | 83.50 | kJ/mol | 308.00 | NIST |
| ΔvapH | 81.40 | kJ/mol | 341.00 | NIST |
| Pvap | 1.69 | kPa | 459.56 | Vapor-Liquid Equilibria of Binary Systems with Long-Chain Organic Compounds (Fatty Alcohol, Fatty Ester, Acylglycerol, and n-Paraffin) at Subatmospheric Pressures |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboil | 474.55 | K | 3.47 | Improving a variation of the DSC technique for measuring the boiling points of pure compounds at low pressures |
| Tboilr | 463.20 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Tributyrin.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Solubility of CO2 in triglycerides using Monte Carlo simulations
- Improving a variation of the DSC technique for measuring the boiling points of pure compounds at low pressures
- Vapor-Liquid Equilibria of Binary Systems with Long-Chain Organic Compounds (Fatty Alcohol, Fatty Ester, Acylglycerol, and n-Paraffin) at Subatmospheric Pressures
- Joback Method
- McGowan Method
- NIST Webbook
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