- InChI
- InChI=1S/C18H24O6/c1-13(2)7-6-10-23-17(20)11-22-12-18(21)24-16-9-5-4-8-15(16)14(3)19/h4-5,8-9,13H,6-7,10-12H2,1-3H3
- InChI Key
- BDWFCNCVTQZKCP-UHFFFAOYSA-N
- Formula
- C18H24O6
- SMILES
-
CC(=O)c1ccccc1OC(=O)COCC(=O)OC
CCC(C)C - Molecular Weight1
- 336.38
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -500.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -929.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.68 | kJ/mol | Joback Calculated Property |
| log10WS | -3.50 | Crippen Calculated Property | |
| logPoct/wat | 2.791 | Crippen Calculated Property | |
| McVol | 263.040 | ml/mol | McGowan Calculated Property |
| Pc | 1620.68 | kPa | Joback Calculated Property |
| Inp | [2844.00; 2844.00] |
|
|
| Inp | 2844.00 | NIST | |
| Inp | 2844.00 | NIST | |
| Tboil | 871.33 | K | Joback Calculated Property |
| Tc | 1080.93 | K | Joback Calculated Property |
| Tfus | 533.04 | K | Joback Calculated Property |
| Vc | 1.002 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [805.80; 868.50] | J/mol×K | [871.33; 1080.93] |
|
| Cp,gas | 805.80 | J/mol×K | 871.33 | Joback Calculated Property |
| Cp,gas | 819.31 | J/mol×K | 906.26 | Joback Calculated Property |
| Cp,gas | 831.59 | J/mol×K | 941.20 | Joback Calculated Property |
| Cp,gas | 842.64 | J/mol×K | 976.13 | Joback Calculated Property |
| Cp,gas | 852.48 | J/mol×K | 1011.06 | Joback Calculated Property |
| Cp,gas | 861.10 | J/mol×K | 1046.00 | Joback Calculated Property |
| Cp,gas | 868.50 | J/mol×K | 1080.93 | Joback Calculated Property |
| η | [0.0000478; 0.0004673] | Pa×s | [533.04; 871.33] |
|
| η | 0.0004673 | Pa×s | 533.04 | Joback Calculated Property |
| η | 0.0002665 | Pa×s | 589.42 | Joback Calculated Property |
| η | 0.0001676 | Pa×s | 645.80 | Joback Calculated Property |
| η | 0.0001136 | Pa×s | 702.18 | Joback Calculated Property |
| η | 0.0000815 | Pa×s | 758.57 | Joback Calculated Property |
| η | 0.0000613 | Pa×s | 814.95 | Joback Calculated Property |
| η | 0.0000478 | Pa×s | 871.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 2-acetylphenyl isohexyl ester.
Sources
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