- InChI
- InChI=1S/C18H34O4/c1-3-5-7-12-16-22-18(20)14-10-8-9-13-17(19)21-15-11-6-4-2/h3-16H2,1-2H3
- InChI Key
- LDDOVTHOUDXILQ-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
- CCCCCCOC(=O)CCCCCC(=O)OCCCCC
- 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 | 0.9803 | Relay (1.0) Calculated Property | |
| ΔfG° | -367.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1030.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.794 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Pc | 1227.70 | kPa | Joback Calculated Property |
| Inp | [2171.00; 2171.00] |
|
|
| Inp | 2171.00 | NIST | |
| Inp | 2171.00 | NIST | |
| Tboil | 596.22 | K | Relay (1.0) Calculated Property |
| Tc | 766.25 | K | Relay (1.0) Calculated Property |
| Tfus | 267.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.090 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [849.49; 940.44] | J/mol×K | [763.82; 942.53] |
|
| Cp,gas | 849.49 | J/mol×K | 763.82 | Joback Calculated Property |
| Cp,gas | 866.90 | J/mol×K | 793.61 | Joback Calculated Property |
| Cp,gas | 883.40 | J/mol×K | 823.39 | Joback Calculated Property |
| Cp,gas | 898.98 | J/mol×K | 853.18 | Joback Calculated Property |
| Cp,gas | 913.68 | J/mol×K | 882.96 | Joback Calculated Property |
| Cp,gas | 927.49 | J/mol×K | 912.75 | Joback Calculated Property |
| Cp,gas | 940.44 | J/mol×K | 942.53 | Joback Calculated Property |
| η | [0.0000707; 0.0010365] | Pa×s | [436.94; 763.82] |
|
| η | 0.0010365 | Pa×s | 436.94 | Joback Calculated Property |
| η | 0.0005169 | Pa×s | 491.42 | Joback Calculated Property |
| η | 0.0002962 | Pa×s | 545.90 | Joback Calculated Property |
| η | 0.0001878 | Pa×s | 600.38 | Joback Calculated Property |
| η | 0.0001284 | Pa×s | 654.86 | Joback Calculated Property |
| η | 0.0000931 | Pa×s | 709.34 | Joback Calculated Property |
| η | 0.0000707 | Pa×s | 763.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, hexyl pentyl ester.
Sources
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