- InChI
- InChI=1S/C18H26O5/c1-3-4-5-6-9-12-22-17(19)13-21-14-18(20)23-16-11-8-7-10-15(16)2/h7-8,10-11H,3-6,9,12-14H2,1-2H3
- InChI Key
- RBJBOZOWIMATOB-UHFFFAOYSA-N
- Formula
- C18H26O5
- SMILES
-
CCCCCCCOC(=O)COCC(=O)Oc1ccccc1
C - Molecular Weight1
- 322.40
- 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 | 0.9496 | Relay (1.0) Calculated Property | |
| ΔfG° | -369.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -913.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.431 | Crippen Calculated Property | |
| McVol | 261.470 | ml/mol | McGowan Calculated Property |
| Pc | 1531.86 | kPa | Joback Calculated Property |
| Inp | [3043.00; 3043.00] |
|
|
| Inp | 3043.00 | NIST | |
| Inp | 3043.00 | NIST | |
| Tboil | 634.08 | K | Relay (1.0) Calculated Property |
| Tc | 831.96 | K | Relay (1.0) Calculated Property |
| Tfus | 298.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.973 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [790.00; 865.06] | J/mol×K | [817.90; 1017.91] |
|
| Cp,gas | 790.00 | J/mol×K | 817.90 | Joback Calculated Property |
| Cp,gas | 805.25 | J/mol×K | 851.23 | Joback Calculated Property |
| Cp,gas | 819.39 | J/mol×K | 884.57 | Joback Calculated Property |
| Cp,gas | 832.44 | J/mol×K | 917.90 | Joback Calculated Property |
| Cp,gas | 844.40 | J/mol×K | 951.24 | Joback Calculated Property |
| Cp,gas | 855.27 | J/mol×K | 984.57 | Joback Calculated Property |
| Cp,gas | 865.06 | J/mol×K | 1017.91 | Joback Calculated Property |
| η | [0.0000544; 0.0005083] | Pa×s | [498.11; 817.90] |
|
| η | 0.0005083 | Pa×s | 498.11 | Joback Calculated Property |
| η | 0.0002926 | Pa×s | 551.41 | Joback Calculated Property |
| η | 0.0001857 | Pa×s | 604.71 | Joback Calculated Property |
| η | 0.0001268 | Pa×s | 658.00 | Joback Calculated Property |
| η | 0.0000917 | Pa×s | 711.30 | Joback Calculated Property |
| η | 0.0000694 | Pa×s | 764.60 | Joback Calculated Property |
| η | 0.0000544 | Pa×s | 817.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, heptyl 2-methylphenyl ester.
Sources
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