- InChI
- InChI=1S/C22H34O5/c1-2-3-4-5-6-7-8-12-16-26-21(23)18-25-19-22(24)27-17-15-20-13-10-9-11-14-20/h9-11,13-14H,2-8,12,15-19H2,1H3
- InChI Key
- GKTZRYIXYQPTOA-UHFFFAOYSA-N
- Formula
- C22H34O5
- SMILES
-
CCCCCCCCCCOC(=O)COCC(=O)OCCc1c
cccc1 - Molecular Weight1
- 378.50
- 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 | 1.0803 | Relay (1.0) Calculated Property | |
| ΔfG° | -478.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -977.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.473 | Crippen Calculated Property | |
| McVol | 317.830 | ml/mol | McGowan Calculated Property |
| Pc | 1106.68 | kPa | Joback Calculated Property |
| Inp | [3509.00; 3509.00] |
|
|
| Inp | 3509.00 | NIST | |
| Inp | 3509.00 | NIST | |
| Tboil | 673.70 | K | Relay (1.0) Calculated Property |
| Tc | 860.39 | K | Relay (1.0) Calculated Property |
| Tfus | 292.68 | K | Relay (1.0) Calculated Property |
| Vc | 1.195 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1013.47; 1091.80] | J/mol×K | [868.50; 1067.15] |
|
| Cp,gas | 1013.47 | J/mol×K | 868.50 | Joback Calculated Property |
| Cp,gas | 1029.81 | J/mol×K | 901.61 | Joback Calculated Property |
| Cp,gas | 1044.81 | J/mol×K | 934.72 | Joback Calculated Property |
| Cp,gas | 1058.48 | J/mol×K | 967.83 | Joback Calculated Property |
| Cp,gas | 1070.86 | J/mol×K | 1000.94 | Joback Calculated Property |
| Cp,gas | 1081.95 | J/mol×K | 1034.05 | Joback Calculated Property |
| Cp,gas | 1091.80 | J/mol×K | 1067.15 | Joback Calculated Property |
| η | [0.0000233; 0.0005840] | Pa×s | [471.01; 868.50] |
|
| η | 0.0005840 | Pa×s | 471.01 | Joback Calculated Property |
| η | 0.0002451 | Pa×s | 537.26 | Joback Calculated Property |
| η | 0.0001244 | Pa×s | 603.51 | Joback Calculated Property |
| η | 0.0000723 | Pa×s | 669.75 | Joback Calculated Property |
| η | 0.0000463 | Pa×s | 736.00 | Joback Calculated Property |
| η | 0.0000319 | Pa×s | 802.25 | Joback Calculated Property |
| η | 0.0000233 | Pa×s | 868.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, decyl phenethyl ester.
Sources
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