- InChI
- InChI=1S/C20H38O5/c1-16(2)8-6-10-18(5)11-13-25-20(22)15-23-14-19(21)24-12-7-9-17(3)4/h16-18H,6-15H2,1-5H3
- InChI Key
- ZIYOCDSIMZRRNO-UHFFFAOYSA-N
- Formula
- C20H38O5
- SMILES
-
CC(C)CCCOC(=O)COCC(=O)OCCC(C)C
CCC(C)C - Molecular Weight1
- 358.51
- 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 | 0.9827 | Relay (1.0) Calculated Property | |
| ΔfG° | -462.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1237.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.378 | Crippen Calculated Property | |
| McVol | 313.410 | ml/mol | McGowan Calculated Property |
| Pc | 1082.78 | kPa | Joback Calculated Property |
| Inp | 2830.00 | NIST | |
| Tboil | 626.28 | K | Relay (1.0) Calculated Property |
| Tc | 786.85 | K | Relay (1.0) Calculated Property |
| Tfus | 251.66 | K | Relay (1.0) Calculated Property |
| Vc | 1.168 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1002.28; 1093.95] | J/mol×K | [830.68; 1019.79] | 
|
| Cp,gas | 1002.28 | J/mol×K | 830.68 | Joback Calculated Property |
| Cp,gas | 1020.47 | J/mol×K | 862.20 | Joback Calculated Property |
| Cp,gas | 1037.49 | J/mol×K | 893.72 | Joback Calculated Property |
| Cp,gas | 1053.34 | J/mol×K | 925.24 | Joback Calculated Property |
| Cp,gas | 1068.02 | J/mol×K | 956.75 | Joback Calculated Property |
| Cp,gas | 1081.56 | J/mol×K | 988.27 | Joback Calculated Property |
| Cp,gas | 1093.95 | J/mol×K | 1019.79 | Joback Calculated Property |
| η | [0.0000307; 0.0009558] | Pa×s | [436.71; 830.68] |
|
| η | 0.0009558 | Pa×s | 436.71 | Joback Calculated Property |
| η | 0.0003706 | Pa×s | 502.37 | Joback Calculated Property |
| η | 0.0001789 | Pa×s | 568.03 | Joback Calculated Property |
| η | 0.0001004 | Pa×s | 633.69 | Joback Calculated Property |
| η | 0.0000628 | Pa×s | 699.36 | Joback Calculated Property |
| η | 0.0000426 | Pa×s | 765.02 | Joback Calculated Property |
| η | 0.0000307 | Pa×s | 830.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 3,7-dimethyloctyl isohexyl ester.
Sources
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