- InChI
- InChI=1S/C15H24O6/c1-4-19-13(16)10-7-11(14(17)20-5-2)9-12(8-10)15(18)21-6-3/h10-12H,4-9H2,1-3H3/t10-,11-,12-
- InChI Key
- JQFXPGZFIFHJJV-AQHSTMNCSA-N
- Formula
- C15H24O6
- SMILES
-
CCOC(=O)C1CC(C(=O)OCC)CC(C(=O)
OCC)C1 - Molecular Weight1
- 300.35
- 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 | 0.7036 | Relay (1.0) Calculated Property | |
| ΔfG° | -846.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1203.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.708 | Crippen Calculated Property | |
| McVol | 233.670 | ml/mol | McGowan Calculated Property |
| Pc | 1594.89 | kPa | Joback Calculated Property |
| Inp | [1910.00; 1910.00] |
|
|
| Inp | 1910.00 | NIST | |
| Inp | 1910.00 | NIST | |
| Tboil | 600.20 | K | Relay (1.0) Calculated Property |
| Tc | 789.14 | K | Relay (1.0) Calculated Property |
| Tfus | 309.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.857 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [339.11; 815.91] | 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 | 1.17530e+01 | |||
| Coefficient B | 1.33356e+00 | |||
| Coefficient C | -4.78600e-04 | |||
| Coefficient D | -5.08000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 339.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 421.39 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 496.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 564.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 625.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 679.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 725.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 763.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 793.73 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 815.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019554; 0.0001371] | Pa×s | [384.70; 647.22] |
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 | -1.27900e+01 | |||
| Coefficient B | 2.52089e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 384.70 | |||
| Temperature range, max. | 647.22 | |||
| η | 0.0019554 | Pa×s | 384.70 | Calculated Property |
| η | 0.0012321 | Pa×s | 413.87 | Calculated Property |
| η | 0.0008251 | Pa×s | 443.04 | Calculated Property |
| η | 0.0005806 | Pa×s | 472.21 | Calculated Property |
| η | 0.0004256 | Pa×s | 501.37 | Calculated Property |
| η | 0.0003228 | Pa×s | 530.54 | Calculated Property |
| η | 0.0002520 | Pa×s | 559.71 | Calculated Property |
| η | 0.0002016 | Pa×s | 588.88 | Calculated Property |
| η | 0.0001647 | Pa×s | 618.05 | Calculated Property |
| η | 0.0001371 | Pa×s | 647.22 | Calculated Property |
Similar Compounds
Find more compounds similar to trans-1,3,5-Cyclohexanetricarboxylic acid, triethyl ester.
Sources
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