- InChI
- InChI=1S/C18H34O4/c1-4-5-6-10-14-21-17(19)11-8-7-9-12-18(20)22-15-13-16(2)3/h16H,4-15H2,1-3H3
- InChI Key
- VPTVALCLVMQPBH-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
- CCCCCCOC(=O)CCCCCC(=O)OCCC(C)C
- Molecular Weight1
- 314.46
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9411 | Relay (1.0) Calculated Property | |
| ΔfG° | -369.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1040.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.650 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Pc | 1234.61 | kPa | Joback Calculated Property |
| Inp | [2135.00; 2135.00] |
|
|
| Inp | 2135.00 | NIST | |
| Inp | 2135.00 | NIST | |
| Tboil | 595.95 | K | Relay (1.0) Calculated Property |
| Tc | 758.78 | K | Relay (1.0) Calculated Property |
| Tfus | 248.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.075 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [849.98; 941.44] | J/mol×K | [763.38; 943.41] |
|
| Cp,gas | 849.98 | J/mol×K | 763.38 | Joback Calculated Property |
| Cp,gas | 867.53 | J/mol×K | 793.39 | Joback Calculated Property |
| Cp,gas | 884.14 | J/mol×K | 823.39 | Joback Calculated Property |
| Cp,gas | 899.82 | J/mol×K | 853.40 | Joback Calculated Property |
| Cp,gas | 914.60 | J/mol×K | 883.40 | Joback Calculated Property |
| Cp,gas | 928.46 | J/mol×K | 913.41 | Joback Calculated Property |
| Cp,gas | 941.44 | J/mol×K | 943.41 | Joback Calculated Property |
| η | [0.0000651; 0.0012393] | Pa×s | [421.94; 763.38] |
|
| η | 0.0012393 | Pa×s | 421.94 | Joback Calculated Property |
| η | 0.0005664 | Pa×s | 478.85 | Joback Calculated Property |
| η | 0.0003058 | Pa×s | 535.75 | Joback Calculated Property |
| η | 0.0001858 | Pa×s | 592.66 | Joback Calculated Property |
| η | 0.0001232 | Pa×s | 649.57 | Joback Calculated Property |
| η | 0.0000873 | Pa×s | 706.47 | Joback Calculated Property |
| η | 0.0000651 | Pa×s | 763.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, hexyl 3-methylbutyl ester.
Sources
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