- InChI
- InChI=1S/C17H24O5/c1-2-3-11-21-16(18)13-20-14-17(19)22-12-7-10-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14H2,1H3
- InChI Key
- BFNSTEKXYFTKGV-UHFFFAOYSA-N
- Formula
- C17H24O5
- SMILES
- CCCCOC(=O)COCC(=O)OCCCc1ccccc1
- Molecular Weight1
- 308.37
- 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 | 0.8918 | Relay (1.0) Calculated Property | |
| ΔfG° | -521.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -882.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.522 | Crippen Calculated Property | |
| McVol | 247.380 | ml/mol | McGowan Calculated Property |
| Pc | 1567.23 | kPa | Joback Calculated Property |
| Inp | [2869.00; 2869.00] |
|
|
| Inp | 2869.00 | NIST | |
| Inp | 2869.00 | NIST | |
| Tboil | 642.46 | K | Relay (1.0) Calculated Property |
| Tc | 819.40 | K | Relay (1.0) Calculated Property |
| Tfus | 266.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.924 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [356.94; 812.57] | 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 | 2.98480e+01 | |||
| Coefficient B | 1.36712e+00 | |||
| Coefficient C | -6.32000e-04 | |||
| Coefficient D | 4.76000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 356.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 436.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 508.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 573.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 630.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 680.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 723.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 759.87 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 789.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 812.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010766; 0.0000816] | Pa×s | [414.66; 664.29] |
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 | -1.36977e+01 | |||
| Coefficient B | 2.84611e+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. | 414.66 | |||
| Temperature range, max. | 664.29 | |||
| η | 0.0010766 | Pa×s | 414.66 | Calculated Property |
| η | 0.0007001 | Pa×s | 442.40 | Calculated Property |
| η | 0.0004790 | Pa×s | 470.13 | Calculated Property |
| η | 0.0003419 | Pa×s | 497.87 | Calculated Property |
| η | 0.0002528 | Pa×s | 525.61 | Calculated Property |
| η | 0.0001927 | Pa×s | 553.34 | Calculated Property |
| η | 0.0001508 | Pa×s | 581.08 | Calculated Property |
| η | 0.0001206 | Pa×s | 608.82 | Calculated Property |
| η | 0.0000984 | Pa×s | 636.56 | Calculated Property |
| η | 0.0000816 | Pa×s | 664.29 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, butyl 3-phenylpropyl ester.
Sources
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