- InChI
- InChI=1S/C21H30O5/c1-4-6-8-17(5-2)15-25-20(23)9-7-10-21(24)26-19-13-11-18(12-14-19)16(3)22/h11-14,17H,4-10,15H2,1-3H3
- InChI Key
- PHYGVXYMVQJHQW-UHFFFAOYSA-N
- Formula
- C21H30O5
- SMILES
-
CCCCC(CC)COC(=O)CCCC(=O)Oc1ccc
(C(C)=O)cc1 - Molecular Weight1
- 362.46
- 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 | 1.0034 | Relay (1.0) Calculated Property | |
| ΔfG° | -370.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -995.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.724 | Crippen Calculated Property | |
| McVol | 299.440 | ml/mol | McGowan Calculated Property |
| Pc | 1317.52 | kPa | Joback Calculated Property |
| Inp | [2732.00; 2732.00] |
|
|
| Inp | 2732.00 | NIST | |
| Inp | 2732.00 | NIST | |
| Tboil | 661.34 | K | Relay (1.0) Calculated Property |
| Tc | 865.47 | K | Relay (1.0) Calculated Property |
| Tfus | 302.59 | K | Relay (1.0) Calculated Property |
| Vc | 1.086 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [953.73; 1022.32] | J/mol×K | [917.55; 1128.93] |
|
| Cp,gas | 953.73 | J/mol×K | 917.55 | Joback Calculated Property |
| Cp,gas | 968.28 | J/mol×K | 952.78 | Joback Calculated Property |
| Cp,gas | 981.54 | J/mol×K | 988.01 | Joback Calculated Property |
| Cp,gas | 993.55 | J/mol×K | 1023.24 | Joback Calculated Property |
| Cp,gas | 1004.33 | J/mol×K | 1058.47 | Joback Calculated Property |
| Cp,gas | 1013.91 | J/mol×K | 1093.70 | Joback Calculated Property |
| Cp,gas | 1022.32 | J/mol×K | 1128.93 | Joback Calculated Property |
| η | [0.0000415; 0.0004831] | Pa×s | [544.62; 917.55] |
|
| η | 0.0004831 | Pa×s | 544.62 | Joback Calculated Property |
| η | 0.0002602 | Pa×s | 606.77 | Joback Calculated Property |
| η | 0.0001572 | Pa×s | 668.93 | Joback Calculated Property |
| η | 0.0001035 | Pa×s | 731.09 | Joback Calculated Property |
| η | 0.0000727 | Pa×s | 793.24 | Joback Calculated Property |
| η | 0.0000538 | Pa×s | 855.39 | Joback Calculated Property |
| η | 0.0000415 | Pa×s | 917.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-ethylhexyl 4-acetylphenyl ester.
Sources
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