- InChI
- InChI=1S/C17H22O6/c1-3-4-7-10-22-16(19)11-21-12-17(20)23-15-9-6-5-8-14(15)13(2)18/h5-6,8-9H,3-4,7,10-12H2,1-2H3
- InChI Key
- STUXRKCJAODKBB-UHFFFAOYSA-N
- Formula
- C17H22O6
- SMILES
-
CCCCCOC(=O)COCC(=O)Oc1ccccc1C(
C)=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° | -506.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -903.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.84 | 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 | 1741.91 | kPa | Joback Calculated Property |
| Inp | [2797.00; 2797.00] |
|
|
| Inp | 2797.00 | NIST | |
| Inp | 2797.00 | NIST | |
| Tboil | 848.89 | K | Joback Calculated Property |
| Tc | 1056.41 | K | Joback Calculated Property |
| Tfus | 536.77 | K | Joback Calculated Property |
| Vc | 0.952 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [747.93; 810.25] | J/mol×K | [848.89; 1056.41] |
|
| Cp,gas | 747.93 | J/mol×K | 848.89 | Joback Calculated Property |
| Cp,gas | 761.17 | J/mol×K | 883.48 | Joback Calculated Property |
| Cp,gas | 773.26 | J/mol×K | 918.06 | Joback Calculated Property |
| Cp,gas | 784.21 | J/mol×K | 952.65 | Joback Calculated Property |
| Cp,gas | 794.03 | J/mol×K | 987.24 | Joback Calculated Property |
| Cp,gas | 802.71 | J/mol×K | 1021.83 | Joback Calculated Property |
| Cp,gas | 810.25 | J/mol×K | 1056.41 | Joback Calculated Property |
| η | [0.0000602; 0.0004691] | Pa×s | [536.77; 848.89] |
|
| η | 0.0004691 | Pa×s | 536.77 | Joback Calculated Property |
| η | 0.0002864 | Pa×s | 588.79 | Joback Calculated Property |
| η | 0.0001894 | Pa×s | 640.81 | Joback Calculated Property |
| η | 0.0001333 | Pa×s | 692.83 | Joback Calculated Property |
| η | 0.0000985 | Pa×s | 744.85 | Joback Calculated Property |
| η | 0.0000758 | Pa×s | 796.87 | Joback Calculated Property |
| η | 0.0000602 | Pa×s | 848.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 2-acetylphenyl pentyl ester.
Sources
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