- InChI
- InChI=1S/C23H36O4/c1-2-3-4-5-6-13-19-26-22(24)16-11-8-12-17-23(25)27-20-18-21-14-9-7-10-15-21/h7,9-10,14-15H,2-6,8,11-13,16-20H2,1H3
- InChI Key
- NJTGYRWKSDSZFL-UHFFFAOYSA-N
- Formula
- C23H36O4
- SMILES
-
CCCCCCCCOC(=O)CCCCCC(=O)OCCc1c
cccc1 - Molecular Weight1
- 376.53
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -212.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -771.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.38 | kJ/mol | Joback Calculated Property |
| log10WS | -6.28 | Crippen Calculated Property | |
| logPoct/wat | 5.627 | Crippen Calculated Property | |
| McVol | 326.050 | ml/mol | McGowan Calculated Property |
| Pc | 1108.89 | kPa | Joback Calculated Property |
| Inp | [2973.00; 2973.00] |
|
|
| Inp | 2973.00 | NIST | |
| Inp | 2973.00 | NIST | |
| Tboil | 904.90 | K | Joback Calculated Property |
| Tc | 1109.91 | K | Joback Calculated Property |
| Tfus | 519.71 | K | Joback Calculated Property |
| Vc | 1.264 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1058.61; 1141.46] | J/mol×K | [904.90; 1109.91] |
|
| Cp,gas | 1058.61 | J/mol×K | 904.90 | Joback Calculated Property |
| Cp,gas | 1075.49 | J/mol×K | 939.07 | Joback Calculated Property |
| Cp,gas | 1091.08 | J/mol×K | 973.24 | Joback Calculated Property |
| Cp,gas | 1105.44 | J/mol×K | 1007.40 | Joback Calculated Property |
| Cp,gas | 1118.60 | J/mol×K | 1041.57 | Joback Calculated Property |
| Cp,gas | 1130.59 | J/mol×K | 1075.74 | Joback Calculated Property |
| Cp,gas | 1141.46 | J/mol×K | 1109.91 | Joback Calculated Property |
| η | [0.0000350; 0.0005005] | Pa×s | [519.71; 904.90] |
|
| η | 0.0005005 | Pa×s | 519.71 | Joback Calculated Property |
| η | 0.0002518 | Pa×s | 583.91 | Joback Calculated Property |
| η | 0.0001452 | Pa×s | 648.11 | Joback Calculated Property |
| η | 0.0000925 | Pa×s | 712.30 | Joback Calculated Property |
| η | 0.0000634 | Pa×s | 776.50 | Joback Calculated Property |
| η | 0.0000461 | Pa×s | 840.70 | Joback Calculated Property |
| η | 0.0000350 | Pa×s | 904.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, octyl phenethyl ester.
Sources
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