- InChI
- InChI=1S/C21H26O4/c1-4-18(15(2)3)24-20(22)13-8-14-21(23)25-19-12-7-10-16-9-5-6-11-17(16)19/h5-7,9-12,15,18H,4,8,13-14H2,1-3H3
- InChI Key
- FZHREUBARNEGGQ-UHFFFAOYSA-N
- Formula
- C21H26O4
- SMILES
-
CCC(OC(=O)CCCC(=O)Oc1cccc2cccc
c12)C(C)C - Molecular Weight1
- 342.43
- 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° | -137.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -560.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.45 | kJ/mol | Joback Calculated Property |
| log10WS | -6.09 | Crippen Calculated Property | |
| logPoct/wat | 4.893 | Crippen Calculated Property | |
| McVol | 278.410 | ml/mol | McGowan Calculated Property |
| Pc | 1519.94 | kPa | Joback Calculated Property |
| Inp | [2648.00; 2648.00] |
|
|
| Inp | 2648.00 | NIST | |
| Inp | 2648.00 | NIST | |
| Tboil | 882.22 | K | Joback Calculated Property |
| Tc | 1100.10 | K | Joback Calculated Property |
| Tfus | 512.39 | K | Joback Calculated Property |
| Vc | 1.062 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [862.09; 935.64] | J/mol×K | [882.22; 1100.10] |
|
| Cp,gas | 862.09 | J/mol×K | 882.22 | Joback Calculated Property |
| Cp,gas | 877.05 | J/mol×K | 918.53 | Joback Calculated Property |
| Cp,gas | 890.86 | J/mol×K | 954.85 | Joback Calculated Property |
| Cp,gas | 903.57 | J/mol×K | 991.16 | Joback Calculated Property |
| Cp,gas | 915.23 | J/mol×K | 1027.47 | Joback Calculated Property |
| Cp,gas | 925.91 | J/mol×K | 1063.79 | Joback Calculated Property |
| Cp,gas | 935.64 | J/mol×K | 1100.10 | Joback Calculated Property |
| η | [0.0000796; 0.0007768] | Pa×s | [512.39; 882.22] |
|
| η | 0.0007768 | Pa×s | 512.39 | Joback Calculated Property |
| η | 0.0004334 | Pa×s | 574.03 | Joback Calculated Property |
| η | 0.0002707 | Pa×s | 635.67 | Joback Calculated Property |
| η | 0.0001838 | Pa×s | 697.31 | Joback Calculated Property |
| η | 0.0001329 | Pa×s | 758.94 | Joback Calculated Property |
| η | 0.0001009 | Pa×s | 820.58 | Joback Calculated Property |
| η | 0.0000796 | Pa×s | 882.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methylpent-3-yl 1-naphthyl ester.
Sources
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