- InChI
- InChI=1S/C21H32O4/c1-3-5-6-7-11-17-24-20(22)15-12-16-21(23)25-19(4-2)18-13-9-8-10-14-18/h8-10,13-14,19H,3-7,11-12,15-17H2,1-2H3
- InChI Key
- STIRUQHTDAQHTB-UHFFFAOYSA-N
- Formula
- C21H32O4
- SMILES
-
CCCCCCCOC(=O)CCCC(=O)OC(CC)c1c
cccc1 - 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° | -231.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -735.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.54 | kJ/mol | Joback Calculated Property |
| log10WS | -5.90 | Crippen Calculated Property | |
| logPoct/wat | 5.365 | Crippen Calculated Property | |
| McVol | 297.870 | ml/mol | McGowan Calculated Property |
| Pc | 1272.78 | kPa | Joback Calculated Property |
| Inp | 2481.00 | NIST | |
| Tboil | 858.70 | K | Joback Calculated Property |
| Tc | 1060.45 | K | Joback Calculated Property |
| Tfus | 482.17 | K | Joback Calculated Property |
| Vc | 1.145 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [938.24; 1020.07] | J/mol×K | [858.70; 1060.45] | 
|
| Cp,gas | 938.24 | J/mol×K | 858.70 | Joback Calculated Property |
| Cp,gas | 954.76 | J/mol×K | 892.33 | Joback Calculated Property |
| Cp,gas | 970.10 | J/mol×K | 925.95 | Joback Calculated Property |
| Cp,gas | 984.26 | J/mol×K | 959.58 | Joback Calculated Property |
| Cp,gas | 997.29 | J/mol×K | 993.20 | Joback Calculated Property |
| Cp,gas | 1009.22 | J/mol×K | 1026.83 | Joback Calculated Property |
| Cp,gas | 1020.07 | J/mol×K | 1060.45 | Joback Calculated Property |
| η | [0.0000430; 0.0007178] | Pa×s | [482.17; 858.70] |
|
| η | 0.0007178 | Pa×s | 482.17 | Joback Calculated Property |
| η | 0.0003427 | Pa×s | 544.92 | Joback Calculated Property |
| η | 0.0001906 | Pa×s | 607.68 | Joback Calculated Property |
| η | 0.0001183 | Pa×s | 670.43 | Joback Calculated Property |
| η | 0.0000797 | Pa×s | 733.19 | Joback Calculated Property |
| η | 0.0000571 | Pa×s | 795.94 | Joback Calculated Property |
| η | 0.0000430 | Pa×s | 858.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, heptyl 1-phenylpropyl ester.
Sources
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