- InChI
- InChI=1S/C12H20O6/c1-4-10(13)16-7-9(18-12(15)6-3)8-17-11(14)5-2/h9H,4-8H2,1-3H3
- InChI Key
- YZWRNSARCRTXDS-UHFFFAOYSA-N
- Formula
- C12H20O6
- SMILES
- CCC(=O)OCC(COC(=O)CC)OC(=O)CC
- Molecular Weight1
- 260.29
- Other Names
-
- Tripropionin
- Propionin, tri-
- Glycerine tripropionate
- Glycerol tripropionate
- Glyceryl tripropionate
- Tripropionine
- 1,2,3-Propanetriol, tripropionate
- 1,2,3-Propanetriol, 1,2,3-tripropanoate
- NSC 36744
- Tripropionylglycerol
- ω : Acentric Factor.
- 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).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (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 | 0.7681 | Relay (1.0) Calculated Property | |
| ΔfG° | -883.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1229.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [91.36; 91.40] | kJ/mol |
|
| ΔvapH° | 91.36 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 91.40 ± 0.40 | kJ/mol | NIST |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.215 | Crippen Calculated Property | |
| McVol | 202.260 | ml/mol | McGowan Calculated Property |
| Pc | 1815.41 | kPa | Joback Calculated Property |
| Inp | [1546.00; 1571.00] |
|
|
| Inp | 1571.00 | NIST | |
| Inp | 1569.00 | NIST | |
| Inp | 1567.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Inp | Outlier 1546.00 | NIST | |
| Inp | 1571.00 | NIST | |
| Tboil | 547.24 | K | Relay (1.0) Calculated Property |
| Tc | 711.58 | K | Relay (1.0) Calculated Property |
| Tfus | 262.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.777 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 481.30 | J/mol×K | 298.15 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.74; 663.28] | 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 | 6.65250e+01 | |||
| Coefficient B | 9.85360e-01 | |||
| Coefficient C | -3.48400e-04 | |||
| Coefficient D | -4.02000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 308.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 369.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 425.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 476.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 521.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 561.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 595.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 624.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 646.68 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 663.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0035268; 0.0001312] | Pa×s | [336.99; 579.96] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.35032e+01 | |||
| Coefficient B | 2.64734e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 336.99 | |||
| Temperature range, max. | 579.96 | |||
| η | 0.0035268 | Pa×s | 336.99 | Calculated Property |
| η | 0.0019694 | Pa×s | 363.99 | Calculated Property |
| η | 0.0011919 | Pa×s | 390.98 | Calculated Property |
| η | 0.0007697 | Pa×s | 417.98 | Calculated Property |
| η | 0.0005241 | Pa×s | 444.98 | Calculated Property |
| η | 0.0003729 | Pa×s | 471.97 | Calculated Property |
| η | 0.0002753 | Pa×s | 498.97 | Calculated Property |
| η | 0.0002097 | Pa×s | 525.97 | Calculated Property |
| η | 0.0001640 | Pa×s | 552.96 | Calculated Property |
| η | 0.0001312 | Pa×s | 579.96 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3-Propanetriol, tripropanoate.
Sources
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