- 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).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1180.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.51 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.740 | Crippen Calculated Property | |
| McVol | 285.230 | ml/mol | McGowan Calculated Property |
| Pc | 1165.63 | kPa | Joback Calculated Property |
| Inp | [2123.00; 2123.00] |
|
|
| Inp | 2123.00 | NIST | |
| Inp | 2123.00 | NIST | |
| Tboil | 597.52 | K | Relay (1.0) Calculated Property |
| Tc | 762.76 | K | Relay (1.0) Calculated Property |
| Tfus | 243.00 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [434.46; 984.30] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.77980e+01 | |||
| Coefficient B | 1.55880e+00 | |||
| Coefficient C | -6.64800e-04 | |||
| Coefficient D | 3.25000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 434.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 527.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 612.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 689.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 757.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 818.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 871.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 916.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 954.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 984.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029504; 0.0000615] | Pa×s | [354.51; 649.61] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.43455e+01 | |||
| Coefficient B | 3.02031e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 354.51 | |||
| Temperature range, max. | 649.61 | |||
| η | 0.0029504 | Pa×s | 354.51 | Calculated Property |
| η | 0.0014343 | Pa×s | 387.30 | Calculated Property |
| η | 0.0007803 | Pa×s | 420.09 | Calculated Property |
| η | 0.0004637 | Pa×s | 452.88 | Calculated Property |
| η | 0.0002956 | Pa×s | 485.66 | Calculated Property |
| η | 0.0001995 | Pa×s | 518.45 | Calculated Property |
| η | 0.0001411 | Pa×s | 551.24 | Calculated Property |
| η | 0.0001037 | Pa×s | 584.03 | Calculated Property |
| η | 0.0000788 | Pa×s | 616.82 | Calculated Property |
| η | 0.0000615 | Pa×s | 649.61 | Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 5-methoxy-3-methylpent-2-yl isobutyl ester.
Sources
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