- InChI
- InChI=1S/C17H24O5/c1-4-5-6-9-21-16(18)11-20-12-17(19)22-15-10-13(2)7-8-14(15)3/h7-8,10H,4-6,9,11-12H2,1-3H3
- InChI Key
- XSJISICCBROPGT-UHFFFAOYSA-N
- Formula
- C17H24O5
- SMILES
-
CCCCCOC(=O)COCC(=O)Oc1cc(C)ccc
1C - Molecular Weight1
- 308.37
- 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° | -387.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -802.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.76 | kJ/mol | Joback Calculated Property |
| log10WS | -3.62 | Crippen Calculated Property | |
| logPoct/wat | 2.959 | Crippen Calculated Property | |
| McVol | 247.380 | ml/mol | McGowan Calculated Property |
| Pc | 1633.81 | kPa | Joback Calculated Property |
| Inp | [2702.00; 2702.00] |
|
|
| Inp | 2702.00 | NIST | |
| Inp | 2702.00 | NIST | |
| Tboil | 800.00 | K | Joback Calculated Property |
| Tc | 1001.07 | K | Joback Calculated Property |
| Tfus | 499.36 | K | Joback Calculated Property |
| Vc | 0.946 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [731.87; 805.60] | J/mol×K | [800.00; 1001.07] |
|
| Cp,gas | 731.87 | J/mol×K | 800.00 | Joback Calculated Property |
| Cp,gas | 746.79 | J/mol×K | 833.51 | Joback Calculated Property |
| Cp,gas | 760.66 | J/mol×K | 867.02 | Joback Calculated Property |
| Cp,gas | 773.48 | J/mol×K | 900.54 | Joback Calculated Property |
| Cp,gas | 785.25 | J/mol×K | 934.05 | Joback Calculated Property |
| Cp,gas | 795.95 | J/mol×K | 967.56 | Joback Calculated Property |
| Cp,gas | 805.60 | J/mol×K | 1001.07 | Joback Calculated Property |
| η | [0.0000629; 0.0004802] | Pa×s | [499.36; 800.00] |
|
| η | 0.0004802 | Pa×s | 499.36 | Joback Calculated Property |
| η | 0.0002932 | Pa×s | 549.47 | Joback Calculated Property |
| η | 0.0001945 | Pa×s | 599.57 | Joback Calculated Property |
| η | 0.0001374 | Pa×s | 649.68 | Joback Calculated Property |
| η | 0.0001020 | Pa×s | 699.79 | Joback Calculated Property |
| η | 0.0000788 | Pa×s | 749.89 | Joback Calculated Property |
| η | 0.0000629 | Pa×s | 800.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 2,5-dimethylphenyl pentyl ester.
Sources
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