- InChI
- InChI=1S/C20H30O5/c1-2-3-4-5-9-14-24-19(21)16-23-17-20(22)25-15-10-13-18-11-7-6-8-12-18/h6-8,11-12H,2-5,9-10,13-17H2,1H3
- InChI Key
- XGNQEJFTCLKEPA-UHFFFAOYSA-N
- Formula
- C20H30O5
- SMILES
-
CCCCCCCOC(=O)COCC(=O)OCCCc1ccc
cc1 - Molecular Weight1
- 350.45
- 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 | 1.0071 | Relay (1.0) Calculated Property | |
| ΔfG° | -495.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -938.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.693 | Crippen Calculated Property | |
| McVol | 289.650 | ml/mol | McGowan Calculated Property |
| Pc | 1262.85 | kPa | Joback Calculated Property |
| Inp | [3274.00; 3274.00] |
|
|
| Inp | 3274.00 | NIST | |
| Inp | 3274.00 | NIST | |
| Tboil | 663.91 | K | Relay (1.0) Calculated Property |
| Tc | 845.24 | K | Relay (1.0) Calculated Property |
| Tfus | 284.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.086 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.58; 967.34] | 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 | 2.71210e+01 | |||
| Coefficient B | 1.65212e+00 | |||
| Coefficient C | -7.95200e-04 | |||
| Coefficient D | 8.33000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 420.58 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 515.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 601.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 678.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 747.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 806.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 858.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 902.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 938.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 967.34 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007536; 0.0000568] | Pa×s | [448.47; 712.50] |
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 | -1.41668e+01 | |||
| Coefficient B | 3.12859e+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. | 448.47 | |||
| Temperature range, max. | 712.50 | |||
| η | 0.0007536 | Pa×s | 448.47 | Calculated Property |
| η | 0.0004911 | Pa×s | 477.81 | Calculated Property |
| η | 0.0003362 | Pa×s | 507.14 | Calculated Property |
| η | 0.0002400 | Pa×s | 536.48 | Calculated Property |
| η | 0.0001773 | Pa×s | 565.82 | Calculated Property |
| η | 0.0001350 | Pa×s | 595.15 | Calculated Property |
| η | 0.0001055 | Pa×s | 624.49 | Calculated Property |
| η | 0.0000842 | Pa×s | 653.83 | Calculated Property |
| η | 0.0000686 | Pa×s | 683.16 | Calculated Property |
| η | 0.0000568 | Pa×s | 712.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, heptyl 3-phenylpropyl ester.
Sources
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