- InChI
- InChI=1S/C19H28O5/c1-4-5-6-7-8-11-23-18(20)13-22-14-19(21)24-17-12-15(2)9-10-16(17)3/h9-10,12H,4-8,11,13-14H2,1-3H3
- InChI Key
- XVOJIYDOALSDJI-UHFFFAOYSA-N
- Formula
- C19H28O5
- SMILES
-
CCCCCCCOC(=O)COCC(=O)Oc1cc(C)c
cc1C - Molecular Weight1
- 336.42
- 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 | 0.9851 | Relay (1.0) Calculated Property | |
| ΔfG° | -370.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -954.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.739 | Crippen Calculated Property | |
| McVol | 275.560 | ml/mol | McGowan Calculated Property |
| Pc | 1406.95 | kPa | Joback Calculated Property |
| Inp | 2957.00 | NIST | |
| Tboil | 645.05 | K | Relay (1.0) Calculated Property |
| Tc | 840.67 | K | Relay (1.0) Calculated Property |
| Tfus | 305.78 | K | Relay (1.0) Calculated Property |
| Vc | 1.028 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [847.43; 922.25] | J/mol×K | [845.76; 1047.04] | 
|
| Cp,gas | 847.43 | J/mol×K | 845.76 | Joback Calculated Property |
| Cp,gas | 862.79 | J/mol×K | 879.31 | Joback Calculated Property |
| Cp,gas | 877.00 | J/mol×K | 912.85 | Joback Calculated Property |
| Cp,gas | 890.04 | J/mol×K | 946.40 | Joback Calculated Property |
| Cp,gas | 901.93 | J/mol×K | 979.95 | Joback Calculated Property |
| Cp,gas | 912.67 | J/mol×K | 1013.49 | Joback Calculated Property |
| Cp,gas | 922.25 | J/mol×K | 1047.04 | Joback Calculated Property |
| η | [0.0000480; 0.0003996] | Pa×s | [521.90; 845.76] |
|
| η | 0.0003996 | Pa×s | 521.90 | Joback Calculated Property |
| η | 0.0002379 | Pa×s | 575.88 | Joback Calculated Property |
| η | 0.0001547 | Pa×s | 629.85 | Joback Calculated Property |
| η | 0.0001077 | Pa×s | 683.83 | Joback Calculated Property |
| η | 0.0000791 | Pa×s | 737.81 | Joback Calculated Property |
| η | 0.0000606 | Pa×s | 791.78 | Joback Calculated Property |
| η | 0.0000480 | Pa×s | 845.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 2,5-dimethylphenyl heptyl ester.
Sources
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