- InChI
- InChI=1S/C27H52O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-25-31-27(29)23-20-18-19-22-26(28)30-24-6-4-2/h3-25H2,1-2H3
- InChI Key
- XNIZORQRQDLLNF-UHFFFAOYSA-N
- Formula
- C27H52O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCCCC(=
O)OCCCC - Molecular Weight1
- 440.70
- 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 | 1.2953 | Relay (1.0) Calculated Property | |
| ΔfG° | -291.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1208.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.305 | Crippen Calculated Property | |
| McVol | 406.170 | ml/mol | McGowan Calculated Property |
| Pc | 723.40 | kPa | Joback Calculated Property |
| Inp | [3060.00; 3060.00] |
|
|
| Inp | 3060.00 | NIST | |
| Inp | 3060.00 | NIST | |
| Tboil | 656.74 | K | Relay (1.0) Calculated Property |
| Tc | 829.95 | K | Relay (1.0) Calculated Property |
| Tfus | 306.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.590 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1409.71; 1515.46] | J/mol×K | [969.74; 1199.13] |
|
| Cp,gas | 1409.71 | J/mol×K | 969.74 | Joback Calculated Property |
| Cp,gas | 1431.77 | J/mol×K | 1007.97 | Joback Calculated Property |
| Cp,gas | 1451.97 | J/mol×K | 1046.20 | Joback Calculated Property |
| Cp,gas | 1470.38 | J/mol×K | 1084.43 | Joback Calculated Property |
| Cp,gas | 1487.05 | J/mol×K | 1122.66 | Joback Calculated Property |
| Cp,gas | 1502.06 | J/mol×K | 1160.89 | Joback Calculated Property |
| Cp,gas | 1515.46 | J/mol×K | 1199.13 | Joback Calculated Property |
| η | [0.0000185; 0.0003585] | Pa×s | [538.37; 969.74] |
|
| η | 0.0003585 | Pa×s | 538.37 | Joback Calculated Property |
| η | 0.0001634 | Pa×s | 610.26 | Joback Calculated Property |
| η | 0.0000879 | Pa×s | 682.16 | Joback Calculated Property |
| η | 0.0000532 | Pa×s | 754.06 | Joback Calculated Property |
| η | 0.0000352 | Pa×s | 825.95 | Joback Calculated Property |
| η | 0.0000248 | Pa×s | 897.85 | Joback Calculated Property |
| η | 0.0000185 | Pa×s | 969.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, butyl hexadecyl ester.
Sources
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