- InChI
- InChI=1S/C14H16O6/c1-2-7-19-13(16)9-18-10-14(17)20-12-6-4-3-5-11(12)8-15/h3-6,8H,2,7,9-10H2,1H3
- InChI Key
- XUGQXIRHBIWZCA-UHFFFAOYSA-N
- Formula
- C14H16O6
- SMILES
- CCCOC(=O)COCC(=O)Oc1ccccc1C=O
- Molecular Weight1
- 280.27
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -502.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -814.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.14 | kJ/mol | Joback Calculated Property |
| log10WS | -2.07 | Crippen Calculated Property | |
| logPoct/wat | 1.374 | Crippen Calculated Property | |
| McVol | 206.680 | ml/mol | McGowan Calculated Property |
| Pc | 2274.07 | kPa | Joback Calculated Property |
| Inp | [2580.00; 2580.00] |
|
|
| Inp | 2580.00 | NIST | |
| Inp | 2580.00 | NIST | |
| Tboil | 775.04 | K | Joback Calculated Property |
| Tc | 982.45 | K | Joback Calculated Property |
| Tfus | 495.03 | K | Joback Calculated Property |
| Vc | 0.794 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [581.29; 640.90] | J/mol×K | [775.04; 982.45] |
|
| Cp,gas | 581.29 | J/mol×K | 775.04 | Joback Calculated Property |
| Cp,gas | 593.61 | J/mol×K | 809.61 | Joback Calculated Property |
| Cp,gas | 604.98 | J/mol×K | 844.18 | Joback Calculated Property |
| Cp,gas | 615.40 | J/mol×K | 878.75 | Joback Calculated Property |
| Cp,gas | 624.87 | J/mol×K | 913.31 | Joback Calculated Property |
| Cp,gas | 633.37 | J/mol×K | 947.88 | Joback Calculated Property |
| Cp,gas | 640.90 | J/mol×K | 982.45 | Joback Calculated Property |
| η | [0.0001009; 0.0007041] | Pa×s | [495.03; 775.04] |
|
| η | 0.0007041 | Pa×s | 495.03 | Joback Calculated Property |
| η | 0.0004430 | Pa×s | 541.70 | Joback Calculated Property |
| η | 0.0003000 | Pa×s | 588.37 | Joback Calculated Property |
| η | 0.0002152 | Pa×s | 635.03 | Joback Calculated Property |
| η | 0.0001615 | Pa×s | 681.70 | Joback Calculated Property |
| η | 0.0001257 | Pa×s | 728.37 | Joback Calculated Property |
| η | 0.0001009 | Pa×s | 775.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 2-formylphenyl propyl ester.
Sources
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