- InChI
- InChI=1S/C18H26O6/c1-3-4-5-6-7-12-23-17(19)13-22-14-18(20)24-16-10-8-15(21-2)9-11-16/h8-11H,3-7,12-14H2,1-2H3
- InChI Key
- UFRLMYRZDRMTIG-UHFFFAOYSA-N
- Formula
- C18H26O6
- SMILES
-
CCCCCCCOC(=O)COCC(=O)Oc1ccc(OC
)cc1 - Molecular Weight1
- 338.40
- 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 | 1.0170 | Relay (1.0) Calculated Property | |
| ΔfG° | -474.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1033.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.131 | Crippen Calculated Property | |
| McVol | 267.340 | ml/mol | McGowan Calculated Property |
| Pc | 1511.67 | kPa | Joback Calculated Property |
| Inp | [3119.00; 3119.00] |
|
|
| Inp | 3119.00 | NIST | |
| Inp | 3119.00 | NIST | |
| Tboil | 653.82 | K | Relay (1.0) Calculated Property |
| Tc | 843.61 | K | Relay (1.0) Calculated Property |
| Tfus | 314.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.996 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [818.63; 889.43] | J/mol×K | [840.32; 1041.15] |
|
| Cp,gas | 818.63 | J/mol×K | 840.32 | Joback Calculated Property |
| Cp,gas | 833.41 | J/mol×K | 873.79 | Joback Calculated Property |
| Cp,gas | 847.00 | J/mol×K | 907.26 | Joback Calculated Property |
| Cp,gas | 859.41 | J/mol×K | 940.74 | Joback Calculated Property |
| Cp,gas | 870.62 | J/mol×K | 974.21 | Joback Calculated Property |
| Cp,gas | 880.63 | J/mol×K | 1007.68 | Joback Calculated Property |
| Cp,gas | 889.43 | J/mol×K | 1041.15 | Joback Calculated Property |
| η | [0.0000409; 0.0003593] | Pa×s | [520.34; 840.32] |
|
| η | 0.0003593 | Pa×s | 520.34 | Joback Calculated Property |
| η | 0.0002114 | Pa×s | 573.67 | Joback Calculated Property |
| η | 0.0001361 | Pa×s | 627.00 | Joback Calculated Property |
| η | 0.0000939 | Pa×s | 680.33 | Joback Calculated Property |
| η | 0.0000684 | Pa×s | 733.66 | Joback Calculated Property |
| η | 0.0000520 | Pa×s | 786.99 | Joback Calculated Property |
| η | 0.0000409 | Pa×s | 840.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, heptyl 4-methoxyphenyl ester.
Sources
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