- InChI
- InChI=1S/C21H26O2/c1-2-3-4-5-6-10-13-21(22)23-20-16-14-19(15-17-20)18-11-8-7-9-12-18/h7-9,11-12,14-17H,2-6,10,13H2,1H3
- InChI Key
- JFIOMVYHCVPMKZ-UHFFFAOYSA-N
- Formula
- C21H26O2
- SMILES
-
CCCCCCCCC(=O)Oc1ccc(-c2ccccc2)
cc1 - Molecular Weight1
- 310.43
- 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° | 107.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -259.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.71 | kJ/mol | Joback Calculated Property |
| log10WS | -7.32 | Crippen Calculated Property | |
| logPoct/wat | 6.010 | Crippen Calculated Property | |
| McVol | 266.670 | ml/mol | McGowan Calculated Property |
| Pc | 1548.78 | kPa | Joback Calculated Property |
| Inp | 2610.00 | NIST | |
| Tboil | 814.51 | K | Joback Calculated Property |
| Tc | 1031.40 | K | Joback Calculated Property |
| Tfus | 463.95 | K | Joback Calculated Property |
| Vc | 1.020 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [795.54; 879.99] | J/mol×K | [814.51; 1031.40] | 
|
| Cp,gas | 795.54 | J/mol×K | 814.51 | Joback Calculated Property |
| Cp,gas | 812.50 | J/mol×K | 850.66 | Joback Calculated Property |
| Cp,gas | 828.24 | J/mol×K | 886.81 | Joback Calculated Property |
| Cp,gas | 842.80 | J/mol×K | 922.95 | Joback Calculated Property |
| Cp,gas | 856.24 | J/mol×K | 959.10 | Joback Calculated Property |
| Cp,gas | 868.62 | J/mol×K | 995.25 | Joback Calculated Property |
| Cp,gas | 879.99 | J/mol×K | 1031.40 | Joback Calculated Property |
| η | [0.0000668; 0.0007963] | Pa×s | [463.95; 814.51] |
|
| η | 0.0007963 | Pa×s | 463.95 | Joback Calculated Property |
| η | 0.0004182 | Pa×s | 522.38 | Joback Calculated Property |
| η | 0.0002500 | Pa×s | 580.80 | Joback Calculated Property |
| η | 0.0001642 | Pa×s | 639.23 | Joback Calculated Property |
| η | 0.0001157 | Pa×s | 697.66 | Joback Calculated Property |
| η | 0.0000861 | Pa×s | 756.08 | Joback Calculated Property |
| η | 0.0000668 | Pa×s | 814.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nonanoic acid, 4-biphenyl ester.
Sources
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