- InChI
- InChI=1S/C20H30O5/c1-4-5-6-7-10-13-24-19(21)14-23-15-20(22)25-18-12-9-8-11-17(18)16(2)3/h8-9,11-12,16H,4-7,10,13-15H2,1-3H3
- InChI Key
- PPSGSKFSSIRVSS-UHFFFAOYSA-N
- Formula
- C20H30O5
- SMILES
-
CCCCCCCOC(=O)COCC(=O)Oc1ccccc1
C(C)C - Molecular Weight1
- 350.45
- 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° | -354.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -858.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.39 | kJ/mol | Joback Calculated Property |
| log10WS | -4.69 | Crippen Calculated Property | |
| logPoct/wat | 4.246 | Crippen Calculated Property | |
| McVol | 289.650 | ml/mol | McGowan Calculated Property |
| Pc | 1332.96 | kPa | Joback Calculated Property |
| Inp | [2950.00; 2950.00] |
|
|
| Inp | 2950.00 | NIST | |
| Inp | 2950.00 | NIST | |
| Tboil | 863.22 | K | Joback Calculated Property |
| Tc | 1066.21 | K | Joback Calculated Property |
| Tfus | 505.65 | K | Joback Calculated Property |
| Vc | 1.107 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [907.61; 983.65] | J/mol×K | [863.22; 1066.21] |
|
| Cp,gas | 907.61 | J/mol×K | 863.22 | Joback Calculated Property |
| Cp,gas | 923.35 | J/mol×K | 897.05 | Joback Calculated Property |
| Cp,gas | 937.85 | J/mol×K | 930.88 | Joback Calculated Property |
| Cp,gas | 951.12 | J/mol×K | 964.72 | Joback Calculated Property |
| Cp,gas | 963.17 | J/mol×K | 998.55 | Joback Calculated Property |
| Cp,gas | 974.01 | J/mol×K | 1032.38 | Joback Calculated Property |
| Cp,gas | 983.65 | J/mol×K | 1066.21 | Joback Calculated Property |
| η | [0.0000376; 0.0004662] | Pa×s | [505.65; 863.22] |
|
| η | 0.0004662 | Pa×s | 505.65 | Joback Calculated Property |
| η | 0.0002457 | Pa×s | 565.25 | Joback Calculated Property |
| η | 0.0001463 | Pa×s | 624.84 | Joback Calculated Property |
| η | 0.0000953 | Pa×s | 684.43 | Joback Calculated Property |
| η | 0.0000666 | Pa×s | 744.03 | Joback Calculated Property |
| η | 0.0000490 | Pa×s | 803.62 | Joback Calculated Property |
| η | 0.0000376 | Pa×s | 863.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, heptyl 2-isopropylphenyl ester.
Sources
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