- InChI
- InChI=1S/C20H28O5/c1-15-11-12-17(23-2)18(13-15)25-20(22)10-6-9-19(21)24-14-16-7-4-3-5-8-16/h11-13,16H,3-10,14H2,1-2H3
- InChI Key
- FSWXPTCKQZFJTB-UHFFFAOYSA-N
- Formula
- C20H28O5
- SMILES
-
COc1ccc(C)cc1OC(=O)CCCC(=O)OCC
1CCCCC1 - Molecular Weight1
- 348.43
- 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° | -337.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -810.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.86 | kJ/mol | Joback Calculated Property |
| log10WS | -5.08 | Crippen Calculated Property | |
| logPoct/wat | 4.203 | Crippen Calculated Property | |
| McVol | 278.790 | ml/mol | McGowan Calculated Property |
| Pc | 1529.46 | kPa | Joback Calculated Property |
| Inp | [2669.00; 2669.00] |
|
|
| Inp | 2669.00 | NIST | |
| Inp | 2669.00 | NIST | |
| Tboil | 888.19 | K | Joback Calculated Property |
| Tc | 1107.78 | K | Joback Calculated Property |
| Tfus | 540.55 | K | Joback Calculated Property |
| Vc | 1.046 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [901.21; 973.71] | J/mol×K | [888.19; 1107.78] |
|
| Cp,gas | 901.21 | J/mol×K | 888.19 | Joback Calculated Property |
| Cp,gas | 917.21 | J/mol×K | 924.79 | Joback Calculated Property |
| Cp,gas | 931.64 | J/mol×K | 961.39 | Joback Calculated Property |
| Cp,gas | 944.49 | J/mol×K | 997.98 | Joback Calculated Property |
| Cp,gas | 955.78 | J/mol×K | 1034.58 | Joback Calculated Property |
| Cp,gas | 965.52 | J/mol×K | 1071.18 | Joback Calculated Property |
| Cp,gas | 973.71 | J/mol×K | 1107.78 | Joback Calculated Property |
| η | [0.0000431; 0.0004094] | Pa×s | [540.55; 888.19] |
|
| η | 0.0004094 | Pa×s | 540.55 | Joback Calculated Property |
| η | 0.0002347 | Pa×s | 598.49 | Joback Calculated Property |
| η | 0.0001484 | Pa×s | 656.43 | Joback Calculated Property |
| η | 0.0001011 | Pa×s | 714.37 | Joback Calculated Property |
| η | 0.0000729 | Pa×s | 772.31 | Joback Calculated Property |
| η | 0.0000551 | Pa×s | 830.25 | Joback Calculated Property |
| η | 0.0000431 | Pa×s | 888.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclohexylmethyl 5-methyl-2-methoxybenzyl ester.
Sources
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