- InChI
- InChI=1S/C14H18O5/c1-3-7-18-13(15)9-17-10-14(16)19-12-6-4-5-11(2)8-12/h4-6,8H,3,7,9-10H2,1-2H3
- InChI Key
- LGXGZJRSWRFIGQ-UHFFFAOYSA-N
- Formula
- C14H18O5
- SMILES
- CCCOC(=O)COCC(=O)Oc1cccc(C)c1
- Molecular Weight1
- 266.29
- 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° | -403.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -729.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.42 | kJ/mol | Joback Calculated Property |
| log10WS | -2.30 | Crippen Calculated Property | |
| logPoct/wat | 1.870 | Crippen Calculated Property | |
| McVol | 205.110 | ml/mol | McGowan Calculated Property |
| Pc | 2121.68 | kPa | Joback Calculated Property |
| Inp | [2388.00; 2388.00] |
|
|
| Inp | 2388.00 | NIST | |
| Inp | 2388.00 | NIST | |
| Tboil | 726.38 | K | Joback Calculated Property |
| Tc | 930.82 | K | Joback Calculated Property |
| Tfus | 453.03 | K | Joback Calculated Property |
| Vc | 0.777 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [566.63; 637.28] | J/mol×K | [726.38; 930.82] |
|
| Cp,gas | 566.63 | J/mol×K | 726.38 | Joback Calculated Property |
| Cp,gas | 580.70 | J/mol×K | 760.45 | Joback Calculated Property |
| Cp,gas | 593.86 | J/mol×K | 794.53 | Joback Calculated Property |
| Cp,gas | 606.11 | J/mol×K | 828.60 | Joback Calculated Property |
| Cp,gas | 617.43 | J/mol×K | 862.68 | Joback Calculated Property |
| Cp,gas | 627.82 | J/mol×K | 896.75 | Joback Calculated Property |
| Cp,gas | 637.28 | J/mol×K | 930.82 | Joback Calculated Property |
| η | [0.0000920; 0.0007156] | Pa×s | [453.03; 726.38] |
|
| η | 0.0007156 | Pa×s | 453.03 | Joback Calculated Property |
| η | 0.0004349 | Pa×s | 498.59 | Joback Calculated Property |
| η | 0.0002873 | Pa×s | 544.15 | Joback Calculated Property |
| η | 0.0002023 | Pa×s | 589.71 | Joback Calculated Property |
| η | 0.0001498 | Pa×s | 635.26 | Joback Calculated Property |
| η | 0.0001155 | Pa×s | 680.82 | Joback Calculated Property |
| η | 0.0000920 | Pa×s | 726.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 3-methylphenyl propyl ester.
Sources
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