- InChI
- InChI=1S/C19H28O5/c1-2-3-4-8-13-23-18(20)15-22-16-19(21)24-14-9-12-17-10-6-5-7-11-17/h5-7,10-11H,2-4,8-9,12-16H2,1H3
- InChI Key
- YBHKCMJGRHGVQK-UHFFFAOYSA-N
- Formula
- C19H28O5
- SMILES
-
CCCCCCOC(=O)COCC(=O)OCCCc1cccc
c1 - Molecular Weight1
- 336.43
- 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 | 0.9694 | Relay (1.0) Calculated Property | |
| ΔfG° | -504.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -918.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.303 | Crippen Calculated Property | |
| McVol | 275.560 | ml/mol | McGowan Calculated Property |
| Pc | 1353.63 | kPa | Joback Calculated Property |
| Inp | 3148.00 | NIST | |
| Tboil | 656.71 | K | Relay (1.0) Calculated Property |
| Tc | 837.48 | K | Relay (1.0) Calculated Property |
| Tfus | 279.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.032 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [399.37; 915.75] | 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 | 2.80300e+01 | |||
| Coefficient B | 1.55712e+00 | |||
| Coefficient C | -7.40800e-04 | |||
| Coefficient D | 7.14000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 399.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 489.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 570.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 643.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 708.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 764.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 813.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 854.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 888.87 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 915.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008519; 0.0000645] | Pa×s | [437.20; 695.99] |
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 | -1.40086e+01 | |||
| Coefficient B | 3.03443e+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. | 437.20 | |||
| Temperature range, max. | 695.99 | |||
| η | 0.0008519 | Pa×s | 437.20 | Calculated Property |
| η | 0.0005551 | Pa×s | 465.95 | Calculated Property |
| η | 0.0003802 | Pa×s | 494.71 | Calculated Property |
| η | 0.0002714 | Pa×s | 523.46 | Calculated Property |
| η | 0.0002007 | Pa×s | 552.22 | Calculated Property |
| η | 0.0001529 | Pa×s | 580.97 | Calculated Property |
| η | 0.0001195 | Pa×s | 609.73 | Calculated Property |
| η | 0.0000955 | Pa×s | 638.48 | Calculated Property |
| η | 0.0000778 | Pa×s | 667.24 | Calculated Property |
| η | 0.0000645 | Pa×s | 695.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, hexyl 3-phenylpropyl ester.
Sources
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