- InChI
- InChI=1S/C17H32O4/c1-4-7-12-15(11-5-2)21-17(19)14-10-8-9-13-16(18)20-6-3/h15H,4-14H2,1-3H3
- InChI Key
- PBDJRAIDQDACMJ-UHFFFAOYSA-N
- Formula
- C17H32O4
- SMILES
- CCCCC(CCC)OC(=O)CCCCCC(=O)OCC
- Molecular Weight1
- 300.43
- 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 | 0.8800 | Relay (1.0) Calculated Property | |
| ΔfG° | -378.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1020.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.402 | Crippen Calculated Property | |
| McVol | 265.270 | ml/mol | McGowan Calculated Property |
| Pc | 1322.31 | kPa | Joback Calculated Property |
| Inp | [1536.00; 1536.00] |
|
|
| Inp | 1536.00 | NIST | |
| Inp | 1536.00 | NIST | |
| Tboil | 577.76 | K | Relay (1.0) Calculated Property |
| Tc | 747.16 | K | Relay (1.0) Calculated Property |
| Tfus | 234.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.006 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [791.52; 881.39] | J/mol×K | [740.50; 919.30] |
|
| Cp,gas | 791.52 | J/mol×K | 740.50 | Joback Calculated Property |
| Cp,gas | 808.68 | J/mol×K | 770.30 | Joback Calculated Property |
| Cp,gas | 824.95 | J/mol×K | 800.10 | Joback Calculated Property |
| Cp,gas | 840.35 | J/mol×K | 829.90 | Joback Calculated Property |
| Cp,gas | 854.88 | J/mol×K | 859.70 | Joback Calculated Property |
| Cp,gas | 868.56 | J/mol×K | 889.50 | Joback Calculated Property |
| Cp,gas | 881.39 | J/mol×K | 919.30 | Joback Calculated Property |
| η | [0.0000748; 0.0013763] | Pa×s | [410.67; 740.50] |
|
| η | 0.0013763 | Pa×s | 410.67 | Joback Calculated Property |
| η | 0.0006360 | Pa×s | 465.64 | Joback Calculated Property |
| η | 0.0003459 | Pa×s | 520.61 | Joback Calculated Property |
| η | 0.0002113 | Pa×s | 575.59 | Joback Calculated Property |
| η | 0.0001407 | Pa×s | 630.56 | Joback Calculated Property |
| η | 0.0001000 | Pa×s | 685.53 | Joback Calculated Property |
| η | 0.0000748 | Pa×s | 740.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, ethyl 4-octyl ester.
Sources
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