- InChI
- InChI=1S/C18H26O4/c1-12(2)15(5)21-17(19)10-7-11-18(20)22-16-9-6-8-13(3)14(16)4/h6,8-9,12,15H,7,10-11H2,1-5H3
- InChI Key
- ABWRSBLINMBELB-UHFFFAOYSA-N
- Formula
- C18H26O4
- SMILES
-
Cc1cccc(OC(=O)CCCC(=O)OC(C)C(C
)C)c1C - Molecular Weight1
- 306.40
- 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° | -278.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -701.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.80 | kJ/mol | Joback Calculated Property |
| log10WS | -4.82 | Crippen Calculated Property | |
| logPoct/wat | 3.967 | Crippen Calculated Property | |
| McVol | 255.600 | ml/mol | McGowan Calculated Property |
| Pc | 1553.67 | kPa | Joback Calculated Property |
| Inp | [2173.00; 2173.00] |
|
|
| Inp | 2173.00 | NIST | |
| Inp | 2173.00 | NIST | |
| Tboil | 799.58 | K | Joback Calculated Property |
| Tc | 1004.92 | K | Joback Calculated Property |
| Tfus | 458.40 | K | Joback Calculated Property |
| Vc | 0.972 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [761.61; 840.92] | J/mol×K | [799.58; 1004.92] |
|
| Cp,gas | 761.61 | J/mol×K | 799.58 | Joback Calculated Property |
| Cp,gas | 777.56 | J/mol×K | 833.80 | Joback Calculated Property |
| Cp,gas | 792.41 | J/mol×K | 868.03 | Joback Calculated Property |
| Cp,gas | 806.16 | J/mol×K | 902.25 | Joback Calculated Property |
| Cp,gas | 818.82 | J/mol×K | 936.47 | Joback Calculated Property |
| Cp,gas | 830.40 | J/mol×K | 970.70 | Joback Calculated Property |
| Cp,gas | 840.92 | J/mol×K | 1004.92 | Joback Calculated Property |
| η | [0.0000613; 0.0007916] | Pa×s | [458.40; 799.58] |
|
| η | 0.0007916 | Pa×s | 458.40 | Joback Calculated Property |
| η | 0.0004085 | Pa×s | 515.26 | Joback Calculated Property |
| η | 0.0002404 | Pa×s | 572.13 | Joback Calculated Property |
| η | 0.0001557 | Pa×s | 628.99 | Joback Calculated Property |
| η | 0.0001084 | Pa×s | 685.85 | Joback Calculated Property |
| η | 0.0000798 | Pa×s | 742.72 | Joback Calculated Property |
| η | 0.0000613 | Pa×s | 799.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 2,3-dimethylphenyl ester.
Sources
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