- InChI
- InChI=1S/C15H18O6/c1-2-3-8-20-14(17)10-19-11-15(18)21-13-7-5-4-6-12(13)9-16/h4-7,9H,2-3,8,10-11H2,1H3
- InChI Key
- XGALRCKVSXWZNI-UHFFFAOYSA-N
- Formula
- C15H18O6
- SMILES
- CCCCOC(=O)COCC(=O)Oc1ccccc1C=O
- Molecular Weight1
- 294.30
- 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 | 0.8800 | Relay (... Calculated Property | |
| ΔfG° | -494.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -938.48 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.87 | kJ/mol | Relay (... Calculated Property |
| IE | 8.79 | eV | Relay (... Calculated Property |
| log10WS | -2.59 | Relay (... Calculated Property | |
| logPoct/wat | 1.764 | Crippen Calculated Property | |
| McVol | 220.770 | ml/mol | McGowan Calculated Property |
| Pc | 2079.33 | kPa | Joback Calculated Property |
| Inp | [2706.00; 2706.00] |
|
|
| Inp | 2706.00 | NIST | |
| Inp | 2706.00 | NIST | |
| Tboil | 626.13 | K | Relay (... Calculated Property |
| Tc | 842.19 | K | Relay (... Calculated Property |
| Tfus | 283.85 | K | Relay (... Calculated Property |
| Vc | 0.809 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [635.85; 696.76] | J/mol×K | [797.92; 1003.87] |
|
| Cp,gas | 635.85 | J/mol×K | 797.92 | Joback Calculated Property |
| Cp,gas | 648.49 | J/mol×K | 832.25 | Joback Calculated Property |
| Cp,gas | 660.15 | J/mol×K | 866.57 | Joback Calculated Property |
| Cp,gas | 670.80 | J/mol×K | 900.90 | Joback Calculated Property |
| Cp,gas | 680.46 | J/mol×K | 935.22 | Joback Calculated Property |
| Cp,gas | 689.11 | J/mol×K | 969.55 | Joback Calculated Property |
| Cp,gas | 696.76 | J/mol×K | 1003.87 | Joback Calculated Property |
| η | [0.0000885; 0.0006475] | Pa×s | [506.30; 797.92] |
|
| η | 0.0006475 | Pa×s | 506.30 | Joback Calculated Property |
| η | 0.0004019 | Pa×s | 554.90 | Joback Calculated Property |
| η | 0.0002694 | Pa×s | 603.51 | Joback Calculated Property |
| η | 0.0001917 | Pa×s | 652.11 | Joback Calculated Property |
| η | 0.0001430 | Pa×s | 700.71 | Joback Calculated Property |
| η | 0.0001108 | Pa×s | 749.32 | Joback Calculated Property |
| η | 0.0000885 | Pa×s | 797.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, butyl 2-formylphenyl ester.
Sources
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