- InChI
- InChI=1S/C23H46O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(24)25-21-22(2)3/h22H,4-21H2,1-3H3
- InChI Key
- NFXJBQMPSCVUFM-UHFFFAOYSA-N
- Formula
- C23H46O2
- SMILES
- CCCCCCCCCCCCCCCCCCC(=O)OCC(C)C
- Molecular Weight1
- 354.61
- 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 | 1.0532 | Relay (1.0) Calculated Property | |
| ΔfG° | -93.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -844.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.837 | Crippen Calculated Property | |
| McVol | 342.370 | ml/mol | McGowan Calculated Property |
| Pc | 879.48 | kPa | Joback Calculated Property |
| Inp | 2428.00 | NIST | |
| Tboil | 614.54 | K | Relay (1.0) Calculated Property |
| Tc | 791.07 | K | Relay (1.0) Calculated Property |
| Tfus | 300.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.342 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1093.96; 1205.01] | J/mol×K | [801.49; 982.25] | 
|
| Cp,gas | 1093.96 | J/mol×K | 801.49 | Joback Calculated Property |
| Cp,gas | 1115.11 | J/mol×K | 831.62 | Joback Calculated Property |
| Cp,gas | 1135.16 | J/mol×K | 861.74 | Joback Calculated Property |
| Cp,gas | 1154.15 | J/mol×K | 891.87 | Joback Calculated Property |
| Cp,gas | 1172.09 | J/mol×K | 921.99 | Joback Calculated Property |
| Cp,gas | 1189.04 | J/mol×K | 952.12 | Joback Calculated Property |
| Cp,gas | 1205.01 | J/mol×K | 982.25 | Joback Calculated Property |
| η | [0.0000444; 0.0014705] | Pa×s | [406.13; 801.49] |
|
| η | 0.0014705 | Pa×s | 406.13 | Joback Calculated Property |
| η | 0.0005460 | Pa×s | 472.02 | Joback Calculated Property |
| η | 0.0002584 | Pa×s | 537.92 | Joback Calculated Property |
| η | 0.0001440 | Pa×s | 603.81 | Joback Calculated Property |
| η | 0.0000900 | Pa×s | 669.70 | Joback Calculated Property |
| η | 0.0000612 | Pa×s | 735.60 | Joback Calculated Property |
| η | 0.0000444 | Pa×s | 801.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyl nonadecanoate.
Sources
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