- InChI
- InChI=1S/C23H44O5/c1-5-6-7-9-12-21(15-17-26-4)16-18-27-22(24)13-10-8-11-14-23(25)28-19-20(2)3/h20-21H,5-19H2,1-4H3
- InChI Key
- YZSXUTANMBKAKL-UHFFFAOYSA-N
- Formula
- C23H44O5
- SMILES
-
CCCCCCC(CCOC)CCOC(=O)CCCCCC(=O
)OCC(C)C - Molecular Weight1
- 400.59
- 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° | -434.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1150.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.74 | kJ/mol | Joback Calculated Property |
| log10WS | -5.78 | Crippen Calculated Property | |
| logPoct/wat | 5.692 | Crippen Calculated Property | |
| McVol | 355.680 | ml/mol | McGowan Calculated Property |
| Pc | 899.10 | kPa | Joback Calculated Property |
| Inp | [2607.00; 2607.00] |
|
|
| Inp | 2607.00 | NIST | |
| Inp | 2607.00 | NIST | |
| Tboil | 899.76 | K | Joback Calculated Property |
| Tc | 1101.93 | K | Joback Calculated Property |
| Tfus | 485.52 | K | Joback Calculated Property |
| Vc | 1.377 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1187.52; 1281.54] | J/mol×K | [899.76; 1101.93] |
|
| Cp,gas | 1187.52 | J/mol×K | 899.76 | Joback Calculated Property |
| Cp,gas | 1206.77 | J/mol×K | 933.46 | Joback Calculated Property |
| Cp,gas | 1224.57 | J/mol×K | 967.15 | Joback Calculated Property |
| Cp,gas | 1240.93 | J/mol×K | 1000.85 | Joback Calculated Property |
| Cp,gas | 1255.86 | J/mol×K | 1034.54 | Joback Calculated Property |
| Cp,gas | 1269.40 | J/mol×K | 1068.24 | Joback Calculated Property |
| Cp,gas | 1281.54 | J/mol×K | 1101.93 | Joback Calculated Property |
| η | [0.0000212; 0.0005368] | Pa×s | [485.52; 899.76] |
|
| η | 0.0005368 | Pa×s | 485.52 | Joback Calculated Property |
| η | 0.0002239 | Pa×s | 554.56 | Joback Calculated Property |
| η | 0.0001133 | Pa×s | 623.60 | Joback Calculated Property |
| η | 0.0000657 | Pa×s | 692.64 | Joback Calculated Property |
| η | 0.0000421 | Pa×s | 761.68 | Joback Calculated Property |
| η | 0.0000290 | Pa×s | 830.72 | Joback Calculated Property |
| η | 0.0000212 | Pa×s | 899.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, isobutyl 3-(2-methoxyethyl)nonyl ester.
Sources
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