- InChI
- InChI=1S/C18H34O5/c1-14(2)13-22-17(19)9-7-6-8-10-18(20)23-16(4)15(3)11-12-21-5/h14-16H,6-13H2,1-5H3
- InChI Key
- TWAZJLJGYDNEPC-UHFFFAOYSA-N
- Formula
- C18H34O5
- SMILES
-
COCCC(C)C(C)OC(=O)CCCCCC(=O)OC
C(C)C - Molecular Weight1
- 330.46
- 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° | -479.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1052.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.22 | kJ/mol | Joback Calculated Property |
| log10WS | -3.80 | Crippen Calculated Property | |
| logPoct/wat | 3.740 | Crippen Calculated Property | |
| McVol | 285.230 | ml/mol | McGowan Calculated Property |
| Pc | 1233.74 | kPa | Joback Calculated Property |
| Inp | [2123.00; 2123.00] |
|
|
| Inp | 2123.00 | NIST | |
| Inp | 2123.00 | NIST | |
| Tboil | 784.92 | K | Joback Calculated Property |
| Tc | 969.58 | K | Joback Calculated Property |
| Tfus | 414.17 | K | Joback Calculated Property |
| Vc | 1.091 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [881.95; 971.86] | J/mol×K | [784.92; 969.58] |
|
| Cp,gas | 881.95 | J/mol×K | 784.92 | Joback Calculated Property |
| Cp,gas | 899.52 | J/mol×K | 815.70 | Joback Calculated Property |
| Cp,gas | 916.05 | J/mol×K | 846.47 | Joback Calculated Property |
| Cp,gas | 931.55 | J/mol×K | 877.25 | Joback Calculated Property |
| Cp,gas | 946.01 | J/mol×K | 908.03 | Joback Calculated Property |
| Cp,gas | 959.45 | J/mol×K | 938.80 | Joback Calculated Property |
| Cp,gas | 971.86 | J/mol×K | 969.58 | Joback Calculated Property |
| η | [0.0000414; 0.0012351] | Pa×s | [414.17; 784.92] |
|
| η | 0.0012351 | Pa×s | 414.17 | Joback Calculated Property |
| η | 0.0004857 | Pa×s | 475.96 | Joback Calculated Property |
| η | 0.0002367 | Pa×s | 537.75 | Joback Calculated Property |
| η | 0.0001338 | Pa×s | 599.55 | Joback Calculated Property |
| η | 0.0000841 | Pa×s | 661.34 | Joback Calculated Property |
| η | 0.0000573 | Pa×s | 723.13 | Joback Calculated Property |
| η | 0.0000414 | Pa×s | 784.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 5-methoxy-3-methylpent-2-yl isobutyl ester.
Sources
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