- InChI
- InChI=1S/C17H22O6/c1-2-3-4-7-10-22-16(19)12-21-13-17(20)23-15-9-6-5-8-14(15)11-18/h5-6,8-9,11H,2-4,7,10,12-13H2,1H3
- InChI Key
- QOWIVPJKPLMESD-UHFFFAOYSA-N
- Formula
- C17H22O6
- SMILES
-
CCCCCCOC(=O)COCC(=O)Oc1ccccc1C
=O - Molecular Weight1
- 322.35
- 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° | -477.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -876.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.82 | kJ/mol | Joback Calculated Property |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 2.545 | Crippen Calculated Property | |
| McVol | 248.950 | ml/mol | McGowan Calculated Property |
| Pc | 1758.02 | kPa | Joback Calculated Property |
| Inp | [2967.00; 2967.00] |
|
|
| Inp | 2967.00 | NIST | |
| Inp | 2967.00 | NIST | |
| Tboil | 843.68 | K | Joback Calculated Property |
| Tc | 1048.55 | K | Joback Calculated Property |
| Tfus | 528.84 | K | Joback Calculated Property |
| Vc | 0.963 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [747.82; 810.42] | J/mol×K | [843.68; 1048.55] |
|
| Cp,gas | 747.82 | J/mol×K | 843.68 | Joback Calculated Property |
| Cp,gas | 760.98 | J/mol×K | 877.82 | Joback Calculated Property |
| Cp,gas | 773.05 | J/mol×K | 911.97 | Joback Calculated Property |
| Cp,gas | 784.02 | J/mol×K | 946.11 | Joback Calculated Property |
| Cp,gas | 793.91 | J/mol×K | 980.26 | Joback Calculated Property |
| Cp,gas | 802.71 | J/mol×K | 1014.40 | Joback Calculated Property |
| Cp,gas | 810.42 | J/mol×K | 1048.55 | Joback Calculated Property |
| η | [0.0000675; 0.0005393] | Pa×s | [528.84; 843.68] |
|
| η | 0.0005393 | Pa×s | 528.84 | Joback Calculated Property |
| η | 0.0003262 | Pa×s | 581.31 | Joback Calculated Property |
| η | 0.0002145 | Pa×s | 633.79 | Joback Calculated Property |
| η | 0.0001503 | Pa×s | 686.26 | Joback Calculated Property |
| η | 0.0001109 | Pa×s | 738.73 | Joback Calculated Property |
| η | 0.0000851 | Pa×s | 791.21 | Joback Calculated Property |
| η | 0.0000675 | Pa×s | 843.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 2-formylphenyl hexyl ester.
Sources
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