- InChI
- InChI=1S/C22H34O5/c1-2-3-4-5-6-7-11-16-26-21(23)18-25-19-22(24)27-17-12-15-20-13-9-8-10-14-20/h8-10,13-14H,2-7,11-12,15-19H2,1H3
- InChI Key
- RIZBDRJTHAZVMB-UHFFFAOYSA-N
- Formula
- C22H34O5
- SMILES
-
CCCCCCCCCOC(=O)COCC(=O)OCCCc1c
cccc1 - Molecular Weight1
- 378.51
- 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 | 1.0801 | Relay (1.0) Calculated Property | |
| ΔfG° | -478.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -979.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.473 | Crippen Calculated Property | |
| McVol | 317.830 | ml/mol | McGowan Calculated Property |
| Pc | 1106.68 | kPa | Joback Calculated Property |
| Inp | [3500.00; 3500.00] |
|
|
| Inp | 3500.00 | NIST | |
| Inp | 3500.00 | NIST | |
| Tboil | 677.52 | K | Relay (1.0) Calculated Property |
| Tc | 859.77 | K | Relay (1.0) Calculated Property |
| Tfus | 292.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.195 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [463.01; 1070.52] | 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 | 2.53030e+01 | |||
| Coefficient B | 1.84212e+00 | |||
| Coefficient C | -9.04000e-04 | |||
| Coefficient D | 1.07100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 463.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 568.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 663.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 749.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 824.86 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 891.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 948.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 997.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1037.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1070.52 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005840; 0.0000433] | Pa×s | [471.01; 747.01] |
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 | -1.44878e+01 | |||
| Coefficient B | 3.31691e+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. | 471.01 | |||
| Temperature range, max. | 747.01 | |||
| η | 0.0005840 | Pa×s | 471.01 | Calculated Property |
| η | 0.0003797 | Pa×s | 501.68 | Calculated Property |
| η | 0.0002594 | Pa×s | 532.34 | Calculated Property |
| η | 0.0001848 | Pa×s | 563.01 | Calculated Property |
| η | 0.0001363 | Pa×s | 593.68 | Calculated Property |
| η | 0.0001036 | Pa×s | 624.34 | Calculated Property |
| η | 0.0000808 | Pa×s | 655.01 | Calculated Property |
| η | 0.0000644 | Pa×s | 685.67 | Calculated Property |
| η | 0.0000524 | Pa×s | 716.34 | Calculated Property |
| η | 0.0000433 | Pa×s | 747.01 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, nonyl 3-phenylpropyl ester.
Sources
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