- 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).
- 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).
- 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 |
| ΔfG° | -628.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1287.22 | kJ/mol | Relay (1.0) 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 |
| 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 | 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 | 732.19 | K | Relay (1.0) Calculated Property |
| Tfus | 238.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.936 | m3/kmol | Relay (1.0) 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-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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