- InChI
- InChI=1S/C21H30O4/c1-2-19(18-12-7-4-8-13-18)25-21(23)15-9-14-20(22)24-16-17-10-5-3-6-11-17/h4,7-8,12-13,17,19H,2-3,5-6,9-11,14-16H2,1H3
- InChI Key
- ZWBONTNYNHPJDS-UHFFFAOYSA-N
- Formula
- C21H30O4
- SMILES
-
CCC(OC(=O)CCCC(=O)OCC1CCCCC1)c
1ccccc1 - Molecular Weight1
- 346.46
- 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° | -207.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -680.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.97 | kJ/mol | Joback Calculated Property |
| log10WS | -5.55 | Crippen Calculated Property | |
| logPoct/wat | 4.975 | Crippen Calculated Property | |
| McVol | 287.010 | ml/mol | McGowan Calculated Property |
| Pc | 1481.57 | kPa | Joback Calculated Property |
| Inp | [2540.00; 2540.00] |
|
|
| Inp | 2540.00 | NIST | |
| Inp | 2540.00 | NIST | |
| Tboil | 878.25 | K | Joback Calculated Property |
| Tc | 1098.08 | K | Joback Calculated Property |
| Tfus | 489.55 | K | Joback Calculated Property |
| Vc | 1.079 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [933.63; 1014.47] | J/mol×K | [878.25; 1098.08] |
|
| Cp,gas | 933.63 | J/mol×K | 878.25 | Joback Calculated Property |
| Cp,gas | 950.82 | J/mol×K | 914.89 | Joback Calculated Property |
| Cp,gas | 966.47 | J/mol×K | 951.53 | Joback Calculated Property |
| Cp,gas | 980.61 | J/mol×K | 988.17 | Joback Calculated Property |
| Cp,gas | 993.30 | J/mol×K | 1024.81 | Joback Calculated Property |
| Cp,gas | 1004.57 | J/mol×K | 1061.45 | Joback Calculated Property |
| Cp,gas | 1014.47 | J/mol×K | 1098.08 | Joback Calculated Property |
| η | [0.0000443; 0.0008144] | Pa×s | [489.55; 878.25] |
|
| η | 0.0008144 | Pa×s | 489.55 | Joback Calculated Property |
| η | 0.0003776 | Pa×s | 554.33 | Joback Calculated Property |
| η | 0.0002056 | Pa×s | 619.12 | Joback Calculated Property |
| η | 0.0001256 | Pa×s | 683.90 | Joback Calculated Property |
| η | 0.0000836 | Pa×s | 748.68 | Joback Calculated Property |
| η | 0.0000594 | Pa×s | 813.47 | Joback Calculated Property |
| η | 0.0000443 | Pa×s | 878.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclohexylmethyl 1-phenylpropyl ester.
Sources
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