- InChI
- InChI=1S/C17H32O4/c1-3-5-7-11-15-21-17(19)13-10-8-9-12-16(18)20-14-6-4-2/h3-15H2,1-2H3
- InChI Key
- YBJRFLQZQCKWLV-UHFFFAOYSA-N
- Formula
- C17H32O4
- SMILES
- CCCCCCOC(=O)CCCCCC(=O)OCCCC
- 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 | 0.9437 | Relay (1.0) Calculated Property | |
| ΔfG° | -375.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1011.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.404 | Crippen Calculated Property | |
| McVol | 265.270 | ml/mol | McGowan Calculated Property |
| Pc | 1314.65 | kPa | Joback Calculated Property |
| Inp | [1604.00; 1604.00] |
|
|
| Inp | 1604.00 | NIST | |
| Inp | 1604.00 | NIST | |
| Tboil | 588.30 | K | Relay (1.0) Calculated Property |
| Tc | 756.64 | K | Relay (1.0) Calculated Property |
| Tfus | 257.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.035 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [791.03; 880.23] | J/mol×K | [740.94; 918.14] |
|
| Cp,gas | 791.03 | J/mol×K | 740.94 | Joback Calculated Property |
| Cp,gas | 808.03 | J/mol×K | 770.47 | Joback Calculated Property |
| Cp,gas | 824.15 | J/mol×K | 800.01 | Joback Calculated Property |
| Cp,gas | 839.43 | J/mol×K | 829.54 | Joback Calculated Property |
| Cp,gas | 853.86 | J/mol×K | 859.07 | Joback Calculated Property |
| Cp,gas | 867.46 | J/mol×K | 888.60 | Joback Calculated Property |
| Cp,gas | 880.23 | J/mol×K | 918.14 | Joback Calculated Property |
| η | [0.0000811; 0.0011435] | Pa×s | [425.67; 740.94] |
|
| η | 0.0011435 | Pa×s | 425.67 | Joback Calculated Property |
| η | 0.0005773 | Pa×s | 478.21 | Joback Calculated Property |
| η | 0.0003337 | Pa×s | 530.76 | Joback Calculated Property |
| η | 0.0002129 | Pa×s | 583.31 | Joback Calculated Property |
| η | 0.0001463 | Pa×s | 635.85 | Joback Calculated Property |
| η | 0.0001065 | Pa×s | 688.39 | Joback Calculated Property |
| η | 0.0000811 | Pa×s | 740.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, butyl hexyl ester.
Sources
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