- InChI
- InChI=1S/C15H18O6/c1-10(16)19-7-13-4-14(8-20-11(2)17)6-15(5-13)9-21-12(3)18/h4-6H,7-9H2,1-3H3
- InChI Key
- JTUPDNAWXLSTQJ-UHFFFAOYSA-N
- Formula
- C15H18O6
- SMILES
-
CC(=O)OCc1cc(COC(C)=O)cc(COC(C
)=O)c1 - Molecular Weight1
- 294.30
- ω : Acentric Factor.
- Cp,gas : Ideal gas 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 | 0.8182 | Relay (1.0) Calculated Property | |
| ΔfG° | -762.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1040.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.876 | Crippen Calculated Property | |
| McVol | 220.770 | ml/mol | McGowan Calculated Property |
| Pc | 1823.17 | kPa | Joback Calculated Property |
| Inp | [2010.00; 2010.00] |
|
|
| Inp | 2010.00 | NIST | |
| Inp | 2010.00 | NIST | |
| Tboil | 592.27 | K | Relay (1.0) Calculated Property |
| Tc | 799.87 | K | Relay (1.0) Calculated Property |
| Tfus | 316.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.828 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.55; 692.91] | 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 | 6.01730e+01 | |||
| Coefficient B | 1.06656e+00 | |||
| Coefficient C | -4.05520e-04 | |||
| Coefficient D | -2.83000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 320.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 385.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 444.75 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 498.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 545.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 587.54 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 623.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 652.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 675.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 692.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008388; 0.0000888] | Pa×s | [437.26; 670.46] |
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 | -1.35394e+01 | |||
| Coefficient B | 2.82290e+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. | 437.26 | |||
| Temperature range, max. | 670.46 | |||
| η | 0.0008388 | Pa×s | 437.26 | Calculated Property |
| η | 0.0005846 | Pa×s | 463.17 | Calculated Property |
| η | 0.0004232 | Pa×s | 489.08 | Calculated Property |
| η | 0.0003166 | Pa×s | 514.99 | Calculated Property |
| η | 0.0002435 | Pa×s | 540.90 | Calculated Property |
| η | 0.0001918 | Pa×s | 566.82 | Calculated Property |
| η | 0.0001543 | Pa×s | 592.73 | Calculated Property |
| η | 0.0001264 | Pa×s | 618.64 | Calculated Property |
| η | 0.0001052 | Pa×s | 644.55 | Calculated Property |
| η | 0.0000888 | Pa×s | 670.46 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-tris-(Hydroxymethyl)benzene triacetate.
Sources
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