- InChI
- InChI=1S/C17H24O6/c1-3-4-5-6-11-22-16(18)12-21-13-17(19)23-15-9-7-14(20-2)8-10-15/h7-10H,3-6,11-13H2,1-2H3
- InChI Key
- DOTIUAQKNCBUOH-UHFFFAOYSA-N
- Formula
- C17H24O6
- SMILES
-
CCCCCCOC(=O)COCC(=O)Oc1ccc(OC)
cc1 - Molecular Weight1
- 324.37
- 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 | 0.9781 | Relay (1.0) Calculated Property | |
| ΔfG° | -482.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1014.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.741 | Crippen Calculated Property | |
| McVol | 253.250 | ml/mol | McGowan Calculated Property |
| Pc | 1631.17 | kPa | Joback Calculated Property |
| Inp | [2990.00; 2990.00] |
|
|
| Inp | 2990.00 | NIST | |
| Inp | 2990.00 | NIST | |
| Tboil | 646.50 | K | Relay (1.0) Calculated Property |
| Tc | 835.46 | K | Relay (1.0) Calculated Property |
| Tfus | 311.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.942 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [760.96; 831.48] | J/mol×K | [817.44; 1017.95] |
|
| Cp,gas | 760.96 | J/mol×K | 817.44 | Joback Calculated Property |
| Cp,gas | 775.54 | J/mol×K | 850.86 | Joback Calculated Property |
| Cp,gas | 789.01 | J/mol×K | 884.28 | Joback Calculated Property |
| Cp,gas | 801.34 | J/mol×K | 917.70 | Joback Calculated Property |
| Cp,gas | 812.54 | J/mol×K | 951.12 | Joback Calculated Property |
| Cp,gas | 822.59 | J/mol×K | 984.53 | Joback Calculated Property |
| Cp,gas | 831.48 | J/mol×K | 1017.95 | Joback Calculated Property |
| η | [0.0000471; 0.0003963] | Pa×s | [509.07; 817.44] |
|
| η | 0.0003963 | Pa×s | 509.07 | Joback Calculated Property |
| η | 0.0002361 | Pa×s | 560.47 | Joback Calculated Property |
| η | 0.0001535 | Pa×s | 611.86 | Joback Calculated Property |
| η | 0.0001067 | Pa×s | 663.25 | Joback Calculated Property |
| η | 0.0000781 | Pa×s | 714.65 | Joback Calculated Property |
| η | 0.0000596 | Pa×s | 766.04 | Joback Calculated Property |
| η | 0.0000471 | Pa×s | 817.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, hexyl 4-methoxyphenyl ester.
Sources
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