- InChI
- InChI=1S/C19H36O5/c1-3-5-7-9-11-13-15-24-19(21)17-22-16-18(20)23-14-12-10-8-6-4-2/h3-17H2,1-2H3
- InChI Key
- UQSJMHKKXZOIPG-UHFFFAOYSA-N
- Formula
- C19H36O5
- SMILES
- CCCCCCCCOC(=O)COCC(=O)OCCCCCCC
- Molecular Weight1
- 344.49
- 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 | 1.0590 | Relay (1.0) Calculated Property | |
| ΔfG° | -463.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1171.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.420 | Crippen Calculated Property | |
| McVol | 299.320 | ml/mol | McGowan Calculated Property |
| Pc | 1135.96 | kPa | Joback Calculated Property |
| Inp | [2878.00; 2878.00] |
|
|
| Inp | 2878.00 | NIST | |
| Inp | 2878.00 | NIST | |
| Tboil | 622.28 | K | Relay (1.0) Calculated Property |
| Tc | 790.67 | K | Relay (1.0) Calculated Property |
| Tfus | 286.65 | K | Relay (1.0) Calculated Property |
| Vc | 1.159 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [940.26; 1030.39] | J/mol×K | [809.12; 992.99] |
|
| Cp,gas | 940.26 | J/mol×K | 809.12 | Joback Calculated Property |
| Cp,gas | 957.88 | J/mol×K | 839.76 | Joback Calculated Property |
| Cp,gas | 974.45 | J/mol×K | 870.41 | Joback Calculated Property |
| Cp,gas | 989.99 | J/mol×K | 901.05 | Joback Calculated Property |
| Cp,gas | 1004.48 | J/mol×K | 931.70 | Joback Calculated Property |
| Cp,gas | 1017.95 | J/mol×K | 962.34 | Joback Calculated Property |
| Cp,gas | 1030.39 | J/mol×K | 992.99 | Joback Calculated Property |
| η | [0.0000461; 0.0006407] | Pa×s | [470.44; 809.12] |
|
| η | 0.0006407 | Pa×s | 470.44 | Joback Calculated Property |
| η | 0.0003267 | Pa×s | 526.89 | Joback Calculated Property |
| η | 0.0001897 | Pa×s | 583.33 | Joback Calculated Property |
| η | 0.0001213 | Pa×s | 639.78 | Joback Calculated Property |
| η | 0.0000834 | Pa×s | 696.23 | Joback Calculated Property |
| η | 0.0000606 | Pa×s | 752.67 | Joback Calculated Property |
| η | 0.0000461 | Pa×s | 809.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, heptyl octyl ester.
Sources
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