- InChI
- InChI=1S/C21H32O5/c1-2-3-4-5-6-10-15-25-20(22)17-24-18-21(23)26-16-11-14-19-12-8-7-9-13-19/h7-9,12-13H,2-6,10-11,14-18H2,1H3
- InChI Key
- FEPLBBHBUDRBAJ-UHFFFAOYSA-N
- Formula
- C21H32O5
- SMILES
-
CCCCCCCCOC(=O)COCC(=O)OCCCc1cc
ccc1 - Molecular Weight1
- 364.48
- 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 | 1.0438 | Relay (1.0) Calculated Property | |
| ΔfG° | -487.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -958.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.083 | Crippen Calculated Property | |
| McVol | 303.740 | ml/mol | McGowan Calculated Property |
| Pc | 1180.90 | kPa | Joback Calculated Property |
| Inp | [3394.00; 3394.00] |
|
|
| Inp | 3394.00 | NIST | |
| Inp | 3394.00 | NIST | |
| Tboil | 670.75 | K | Relay (1.0) Calculated Property |
| Tc | 852.60 | K | Relay (1.0) Calculated Property |
| Tfus | 288.66 | K | Relay (1.0) Calculated Property |
| Vc | 1.141 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [953.65; 1031.99] | J/mol×K | [845.62; 1042.13] |
|
| Cp,gas | 953.65 | J/mol×K | 845.62 | Joback Calculated Property |
| Cp,gas | 969.85 | J/mol×K | 878.37 | Joback Calculated Property |
| Cp,gas | 984.77 | J/mol×K | 911.12 | Joback Calculated Property |
| Cp,gas | 998.42 | J/mol×K | 943.88 | Joback Calculated Property |
| Cp,gas | 1010.83 | J/mol×K | 976.63 | Joback Calculated Property |
| Cp,gas | 1022.01 | J/mol×K | 1009.38 | Joback Calculated Property |
| Cp,gas | 1031.99 | J/mol×K | 1042.13 | Joback Calculated Property |
| η | [0.0000271; 0.0006644] | Pa×s | [459.74; 845.62] |
|
| η | 0.0006644 | Pa×s | 459.74 | Joback Calculated Property |
| η | 0.0002811 | Pa×s | 524.05 | Joback Calculated Property |
| η | 0.0001435 | Pa×s | 588.37 | Joback Calculated Property |
| η | 0.0000837 | Pa×s | 652.68 | Joback Calculated Property |
| η | 0.0000537 | Pa×s | 716.99 | Joback Calculated Property |
| η | 0.0000371 | Pa×s | 781.31 | Joback Calculated Property |
| η | 0.0000271 | Pa×s | 845.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, octyl 3-phenylpropyl ester.
Sources
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