- InChI
- InChI=1S/C15H20O5/c1-2-19-14(16)11-18-12-15(17)20-10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3
- InChI Key
- BWTDHSIPMPDHEY-UHFFFAOYSA-N
- Formula
- C15H20O5
- SMILES
- CCOC(=O)COCC(=O)OCCCc1ccccc1
- Molecular Weight1
- 280.32
- 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 | 0.8037 | Relay (1.0) Calculated Property | |
| ΔfG° | -537.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -843.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.742 | Crippen Calculated Property | |
| McVol | 219.200 | ml/mol | McGowan Calculated Property |
| Pc | 1835.69 | kPa | Joback Calculated Property |
| Inp | [2593.00; 2593.00] |
|
|
| Inp | 2593.00 | NIST | |
| Inp | 2593.00 | NIST | |
| Tboil | 627.14 | K | Relay (1.0) Calculated Property |
| Tc | 804.78 | K | Relay (1.0) Calculated Property |
| Tfus | 272.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.817 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.51; 709.39] | 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 | 3.16660e+01 | |||
| Coefficient B | 1.17712e+00 | |||
| Coefficient C | -5.23200e-04 | |||
| Coefficient D | 2.38000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 314.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 383.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 446.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 502.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 552.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 596.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 633.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 664.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 690.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 709.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013373; 0.0001007] | Pa×s | [392.12; 634.11] |
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 | -1.33951e+01 | |||
| Coefficient B | 2.65779e+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. | 392.12 | |||
| Temperature range, max. | 634.11 | |||
| η | 0.0013373 | Pa×s | 392.12 | Calculated Property |
| η | 0.0008657 | Pa×s | 419.01 | Calculated Property |
| η | 0.0005905 | Pa×s | 445.89 | Calculated Property |
| η | 0.0004208 | Pa×s | 472.78 | Calculated Property |
| η | 0.0003109 | Pa×s | 499.67 | Calculated Property |
| η | 0.0002370 | Pa×s | 526.56 | Calculated Property |
| η | 0.0001854 | Pa×s | 553.44 | Calculated Property |
| η | 0.0001484 | Pa×s | 580.33 | Calculated Property |
| η | 0.0001212 | Pa×s | 607.22 | Calculated Property |
| η | 0.0001007 | Pa×s | 634.11 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, ethyl 3-phenylpropyl ester.
Sources
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