- InChI
- InChI=1S/C32H62O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-24-29-35-31(33)27-22-21-23-28-32(34)36-30(25-6-3)26-8-5-2/h30H,4-29H2,1-3H3
- InChI Key
- BYBHMXVXKFQSKK-UHFFFAOYSA-N
- Formula
- C32H62O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CCCCCC(
=O)OC(CCC)CCCC - Molecular Weight1
- 510.83
- 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 | 1.4208 | Relay (... Calculated Property | |
| ΔfG° | -251.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1314.52 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 80.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.11 | kJ/mol | Relay (... Calculated Property |
| IE | 9.61 | eV | Relay (... Calculated Property |
| log10WS | -8.75 | Relay (... Calculated Property | |
| logPoct/wat | 10.254 | Crippen Calculated Property | |
| McVol | 476.620 | ml/mol | McGowan Calculated Property |
| Pc | 569.60 | kPa | Joback Calculated Property |
| Inp | [2783.00; 2783.00] |
|
|
| Inp | 2783.00 | NIST | |
| Inp | 2783.00 | NIST | |
| Tboil | 684.18 | K | Relay (... Calculated Property |
| Tc | 859.26 | K | Relay (... Calculated Property |
| Tfus | 291.49 | K | Relay (... Calculated Property |
| Vc | 1.832 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1736.88; 1847.27] | J/mol×K | [1083.70; 1379.80] |
|
| Cp,gas | 1736.88 | J/mol×K | 1083.70 | Joback Calculated Property |
| Cp,gas | 1762.49 | J/mol×K | 1133.05 | Joback Calculated Property |
| Cp,gas | 1784.99 | J/mol×K | 1182.40 | Joback Calculated Property |
| Cp,gas | 1804.54 | J/mol×K | 1231.75 | Joback Calculated Property |
| Cp,gas | 1821.32 | J/mol×K | 1281.10 | Joback Calculated Property |
| Cp,gas | 1835.51 | J/mol×K | 1330.45 | Joback Calculated Property |
| Cp,gas | 1847.27 | J/mol×K | 1379.80 | Joback Calculated Property |
| η | [0.0000075; 0.0002008] | Pa×s | [579.72; 1083.70] |
|
| η | 0.0002008 | Pa×s | 579.72 | Joback Calculated Property |
| η | 0.0000821 | Pa×s | 663.72 | Joback Calculated Property |
| η | 0.0000410 | Pa×s | 747.71 | Joback Calculated Property |
| η | 0.0000236 | Pa×s | 831.71 | Joback Calculated Property |
| η | 0.0000150 | Pa×s | 915.71 | Joback Calculated Property |
| η | 0.0000103 | Pa×s | 999.70 | Joback Calculated Property |
| η | 0.0000075 | Pa×s | 1083.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, heptadecyl 4-octyl ester.
Sources
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