- 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
- 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).
- 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).
- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -8122.40 | kJ/mol | NIST |
| ΔfG° | -628.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1092.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.44 | 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 |
| log10WS | -2.80 | Crippen Calculated Property | |
| logPoct/wat | 2.385 | Crippen Calculated Property | |
| McVol | 244.530 | ml/mol | McGowan Calculated Property |
| Pc | 1584.75 | 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 | 957.68 | K | Joback Calculated Property |
| Tfus | 460.29 | K | Joback Calculated Property |
| Vc | 0.942 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [728.57; 803.82] | J/mol×K | [771.03; 957.68] |
|
| Cp,gas | 728.57 | J/mol×K | 771.03 | Joback Calculated Property |
| Cp,gas | 743.38 | J/mol×K | 802.14 | Joback Calculated Property |
| Cp,gas | 757.29 | J/mol×K | 833.25 | Joback Calculated Property |
| Cp,gas | 770.29 | J/mol×K | 864.36 | Joback Calculated Property |
| Cp,gas | 782.38 | J/mol×K | 895.47 | Joback Calculated Property |
| Cp,gas | 793.56 | J/mol×K | 926.57 | Joback Calculated Property |
| Cp,gas | 803.82 | J/mol×K | 957.68 | 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 | [0.0000716; 0.0008806] | Pa×s | [460.29; 771.03] |
|
| η | 0.0008806 | Pa×s | 460.29 | Joback Calculated Property |
| η | 0.0004692 | Pa×s | 512.08 | Joback Calculated Property |
| η | 0.0002806 | Pa×s | 563.87 | Joback Calculated Property |
| η | 0.0001830 | Pa×s | 615.66 | Joback Calculated Property |
| η | 0.0001275 | Pa×s | 667.45 | Joback Calculated Property |
| η | 0.0000936 | Pa×s | 719.24 | Joback Calculated Property |
| η | 0.0000716 | Pa×s | 771.03 | 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-L... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboil | 474.55 | K | 3.47 | Improvi... |
| Tboilr | 463.20 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Tributyrin.
Mixtures
Sources
- 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
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.