- InChI
- InChI=1S/C18H20O5/c1-13(2)10-22-17(19)11-21-12-18(20)23-16-8-7-14-5-3-4-6-15(14)9-16/h3-9,13H,10-12H2,1-2H3
- InChI Key
- QUPRDQJWLDRLSQ-UHFFFAOYSA-N
- Formula
- C18H20O5
- SMILES
-
CC(C)COC(=O)COCC(=O)Oc1ccc2ccc
cc2c1 - Molecular Weight1
- 316.35
- 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 | 0.8573 | Relay (1.0) Calculated Property | |
| ΔfG° | -265.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -764.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.961 | Crippen Calculated Property | |
| McVol | 242.010 | ml/mol | McGowan Calculated Property |
| Pc | 1887.08 | kPa | Joback Calculated Property |
| Inp | [3089.00; 3089.00] |
|
|
| Inp | 3089.00 | NIST | |
| Inp | 3089.00 | NIST | |
| Tboil | 679.49 | K | Relay (1.0) Calculated Property |
| Tc | 903.74 | K | Relay (1.0) Calculated Property |
| Tfus | 354.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.884 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [716.61; 782.77] | J/mol×K | [836.44; 1054.86] |
|
| Cp,gas | 716.61 | J/mol×K | 836.44 | Joback Calculated Property |
| Cp,gas | 730.34 | J/mol×K | 872.84 | Joback Calculated Property |
| Cp,gas | 742.95 | J/mol×K | 909.25 | Joback Calculated Property |
| Cp,gas | 754.46 | J/mol×K | 945.65 | Joback Calculated Property |
| Cp,gas | 764.92 | J/mol×K | 982.06 | Joback Calculated Property |
| Cp,gas | 774.34 | J/mol×K | 1018.46 | Joback Calculated Property |
| Cp,gas | 782.77 | J/mol×K | 1054.86 | Joback Calculated Property |
| η | [0.0000974; 0.0006655] | Pa×s | [515.81; 836.44] |
|
| η | 0.0006655 | Pa×s | 515.81 | Joback Calculated Property |
| η | 0.0004157 | Pa×s | 569.25 | Joback Calculated Property |
| η | 0.0002815 | Pa×s | 622.69 | Joback Calculated Property |
| η | 0.0002027 | Pa×s | 676.12 | Joback Calculated Property |
| η | 0.0001532 | Pa×s | 729.56 | Joback Calculated Property |
| η | 0.0001202 | Pa×s | 783.00 | Joback Calculated Property |
| η | 0.0000974 | Pa×s | 836.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isobutyl 2-naphthyl ester.
Sources
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