- InChI
- InChI=1S/C21H32O4/c1-5-7-11-18(6-2)15-24-20(22)13-9-14-21(23)25-19-12-8-10-16(3)17(19)4/h8,10,12,18H,5-7,9,11,13-15H2,1-4H3
- InChI Key
- KXOIFRUPFKMKHJ-UHFFFAOYSA-N
- Formula
- C21H32O4
- SMILES
-
CCCCC(CC)COC(=O)CCCC(=O)Oc1ccc
c(C)c1C - Molecular Weight1
- 348.48
- 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° | -251.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -758.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.86 | kJ/mol | Joback Calculated Property |
| log10WS | -5.96 | Crippen Calculated Property | |
| logPoct/wat | 5.139 | Crippen Calculated Property | |
| McVol | 297.870 | ml/mol | McGowan Calculated Property |
| Pc | 1245.97 | kPa | Joback Calculated Property |
| Inp | [2505.00; 2505.00] |
|
|
| Inp | 2505.00 | NIST | |
| Inp | 2505.00 | NIST | |
| Tboil | 868.66 | K | Joback Calculated Property |
| Tc | 1072.18 | K | Joback Calculated Property |
| Tfus | 507.21 | K | Joback Calculated Property |
| Vc | 1.145 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [937.05; 1017.41] | J/mol×K | [868.66; 1072.18] |
|
| Cp,gas | 937.05 | J/mol×K | 868.66 | Joback Calculated Property |
| Cp,gas | 953.40 | J/mol×K | 902.58 | Joback Calculated Property |
| Cp,gas | 968.55 | J/mol×K | 936.50 | Joback Calculated Property |
| Cp,gas | 982.50 | J/mol×K | 970.42 | Joback Calculated Property |
| Cp,gas | 995.28 | J/mol×K | 1004.34 | Joback Calculated Property |
| Cp,gas | 1006.91 | J/mol×K | 1038.26 | Joback Calculated Property |
| Cp,gas | 1017.41 | J/mol×K | 1072.18 | Joback Calculated Property |
| η | [0.0000442; 0.0005155] | Pa×s | [507.21; 868.66] |
|
| η | 0.0005155 | Pa×s | 507.21 | Joback Calculated Property |
| η | 0.0002755 | Pa×s | 567.45 | Joback Calculated Property |
| η | 0.0001661 | Pa×s | 627.69 | Joback Calculated Property |
| η | 0.0001094 | Pa×s | 687.93 | Joback Calculated Property |
| η | 0.0000771 | Pa×s | 748.18 | Joback Calculated Property |
| η | 0.0000572 | Pa×s | 808.42 | Joback Calculated Property |
| η | 0.0000442 | Pa×s | 868.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-ethylhexyl 2,3-dimethylphenyl ester.
Sources
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