- InChI
- InChI=1S/C21H40O6/c1-16(12-14-24-5)18(3)26-20(22)10-8-7-9-11-21(23)27-19(4)17(2)13-15-25-6/h16-19H,7-15H2,1-6H3
- InChI Key
- ZCJYYJAUDKDLKA-UHFFFAOYSA-N
- Formula
- C21H40O6
- SMILES
-
COCCC(C)C(C)OC(=O)CCCCCC(=O)OC
(C)C(C)CCOC - Molecular Weight1
- 388.54
- 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° | -561.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1251.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.92 | kJ/mol | Joback Calculated Property |
| log10WS | -4.25 | Crippen Calculated Property | |
| logPoct/wat | 4.146 | Crippen Calculated Property | |
| McVol | 333.370 | ml/mol | McGowan Calculated Property |
| Pc | 1011.66 | kPa | Joback Calculated Property |
| Inp | 2463.00 | NIST | |
| Tboil | 875.54 | K | Joback Calculated Property |
| Tc | 1072.38 | K | Joback Calculated Property |
| Tfus | 455.21 | K | Joback Calculated Property |
| Vc | 1.272 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1095.56; 1183.33] | J/mol×K | [875.54; 1072.38] | 
|
| Cp,gas | 1095.56 | J/mol×K | 875.54 | Joback Calculated Property |
| Cp,gas | 1113.70 | J/mol×K | 908.35 | Joback Calculated Property |
| Cp,gas | 1130.43 | J/mol×K | 941.15 | Joback Calculated Property |
| Cp,gas | 1145.76 | J/mol×K | 973.96 | Joback Calculated Property |
| Cp,gas | 1159.69 | J/mol×K | 1006.77 | Joback Calculated Property |
| Cp,gas | 1172.21 | J/mol×K | 1039.57 | Joback Calculated Property |
| Cp,gas | 1183.33 | J/mol×K | 1072.38 | Joback Calculated Property |
| η | [0.0000178; 0.0006569] | Pa×s | [455.21; 875.54] |
|
| η | 0.0006569 | Pa×s | 455.21 | Joback Calculated Property |
| η | 0.0002412 | Pa×s | 525.26 | Joback Calculated Property |
| η | 0.0001121 | Pa×s | 595.32 | Joback Calculated Property |
| η | 0.0000612 | Pa×s | 665.38 | Joback Calculated Property |
| η | 0.0000375 | Pa×s | 735.43 | Joback Calculated Property |
| η | 0.0000250 | Pa×s | 805.48 | Joback Calculated Property |
| η | 0.0000178 | Pa×s | 875.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, di(5-methoxy-3-methylpent-2-yl) ester.
Sources
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