- InChI
- InChI=1S/C23H44O4/c1-18(2)11-10-12-20(5)15-16-26-22(24)13-8-7-9-14-23(25)27-21(6)17-19(3)4/h18-21H,7-17H2,1-6H3
- InChI Key
- TTZQTCFUANRIIV-UHFFFAOYSA-N
- Formula
- C23H44O4
- SMILES
-
CC(C)CCCC(C)CCOC(=O)CCCCCC(=O)
OC(C)CC(C)C - Molecular Weight1
- 384.59
- 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° | -334.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1028.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.55 | kJ/mol | Joback Calculated Property |
| log10WS | -6.56 | Crippen Calculated Property | |
| logPoct/wat | 6.310 | Crippen Calculated Property | |
| McVol | 349.810 | ml/mol | McGowan Calculated Property |
| Pc | 917.16 | kPa | Joback Calculated Property |
| Inp | [2424.00; 2424.00] |
|
|
| Inp | 2424.00 | NIST | |
| Inp | 2424.00 | NIST | |
| Tboil | 876.46 | K | Joback Calculated Property |
| Tc | 1073.32 | K | Joback Calculated Property |
| Tfus | 433.29 | K | Joback Calculated Property |
| Vc | 1.347 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1156.28; 1254.27] | J/mol×K | [876.46; 1073.32] |
|
| Cp,gas | 1156.28 | J/mol×K | 876.46 | Joback Calculated Property |
| Cp,gas | 1175.85 | J/mol×K | 909.27 | Joback Calculated Property |
| Cp,gas | 1194.08 | J/mol×K | 942.08 | Joback Calculated Property |
| Cp,gas | 1211.02 | J/mol×K | 974.89 | Joback Calculated Property |
| Cp,gas | 1226.67 | J/mol×K | 1007.70 | Joback Calculated Property |
| Cp,gas | 1241.08 | J/mol×K | 1040.51 | Joback Calculated Property |
| Cp,gas | 1254.27 | J/mol×K | 1073.32 | Joback Calculated Property |
| η | [0.0000240; 0.0012150] | Pa×s | [433.29; 876.46] |
|
| η | 0.0012150 | Pa×s | 433.29 | Joback Calculated Property |
| η | 0.0003922 | Pa×s | 507.15 | Joback Calculated Property |
| η | 0.0001688 | Pa×s | 581.01 | Joback Calculated Property |
| η | 0.0000878 | Pa×s | 654.88 | Joback Calculated Property |
| η | 0.0000522 | Pa×s | 728.74 | Joback Calculated Property |
| η | 0.0000341 | Pa×s | 802.60 | Joback Calculated Property |
| η | 0.0000240 | Pa×s | 876.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 3,7-dimethyloctyl 4-methyl-2-pentyl ester.
Sources
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