- InChI
- InChI=1S/C25H40O4/c1-2-3-4-5-6-7-8-15-21-28-24(26)18-13-10-14-19-25(27)29-22-20-23-16-11-9-12-17-23/h9,11-12,16-17H,2-8,10,13-15,18-22H2,1H3
- InChI Key
- BAKQCOUZAZOLOA-UHFFFAOYSA-N
- Formula
- C25H40O4
- SMILES
-
CCCCCCCCCCOC(=O)CCCCCC(=O)OCCc
1ccccc1 - Molecular Weight1
- 404.58
- 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 | 1.1489 | Relay (1.0) Calculated Property | |
| ΔfG° | -195.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -921.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.407 | Crippen Calculated Property | |
| McVol | 354.230 | ml/mol | McGowan Calculated Property |
| Pc | 979.62 | kPa | Joback Calculated Property |
| Inp | [3072.00; 3072.00] |
|
|
| Inp | 3072.00 | NIST | |
| Inp | 3072.00 | NIST | |
| Tboil | 675.71 | K | Relay (1.0) Calculated Property |
| Tc | 864.80 | K | Relay (1.0) Calculated Property |
| Tfus | 292.46 | K | Relay (1.0) Calculated Property |
| Vc | 1.344 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1181.85; 1265.88] | J/mol×K | [950.66; 1163.88] |
|
| Cp,gas | 1181.85 | J/mol×K | 950.66 | Joback Calculated Property |
| Cp,gas | 1199.24 | J/mol×K | 986.20 | Joback Calculated Property |
| Cp,gas | 1215.22 | J/mol×K | 1021.73 | Joback Calculated Property |
| Cp,gas | 1229.82 | J/mol×K | 1057.27 | Joback Calculated Property |
| Cp,gas | 1243.10 | J/mol×K | 1092.80 | Joback Calculated Property |
| Cp,gas | 1255.10 | J/mol×K | 1128.34 | Joback Calculated Property |
| Cp,gas | 1265.88 | J/mol×K | 1163.88 | Joback Calculated Property |
| η | [0.0000259; 0.0003943] | Pa×s | [542.25; 950.66] |
|
| η | 0.0003943 | Pa×s | 542.25 | Joback Calculated Property |
| η | 0.0001945 | Pa×s | 610.32 | Joback Calculated Property |
| η | 0.0001106 | Pa×s | 678.39 | Joback Calculated Property |
| η | 0.0000697 | Pa×s | 746.45 | Joback Calculated Property |
| η | 0.0000475 | Pa×s | 814.52 | Joback Calculated Property |
| η | 0.0000343 | Pa×s | 882.59 | Joback Calculated Property |
| η | 0.0000259 | Pa×s | 950.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, decyl phenethyl ester.
Sources
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