- InChI
- InChI=1S/C20H32O2/c1-5-6-7-8-9-10-11-16-22-19(21)17-12-14-18(15-13-17)20(2,3)4/h12-15H,5-11,16H2,1-4H3
- InChI Key
- MUZHGYBPDHHONZ-UHFFFAOYSA-N
- Formula
- C20H32O2
- SMILES
-
CCCCCCCCCOC(=O)c1ccc(C(C)(C)C)
cc1 - Molecular Weight1
- 304.47
- 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 | 0.8547 | Relay (1.0) Calculated Property | |
| ΔfG° | -10.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -541.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.892 | Crippen Calculated Property | |
| McVol | 276.340 | ml/mol | McGowan Calculated Property |
| Pc | 1315.61 | kPa | Joback Calculated Property |
| Inp | [2267.00; 2267.00] |
|
|
| Inp | 2267.00 | NIST | |
| Inp | 2267.00 | NIST | |
| Tboil | 609.63 | K | Relay (1.0) Calculated Property |
| Tc | 815.55 | K | Relay (1.0) Calculated Property |
| Tfus | 289.88 | K | Relay (1.0) Calculated Property |
| Vc | 1.040 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [827.61; 923.23] | J/mol×K | [761.72; 959.70] |
|
| Cp,gas | 827.61 | J/mol×K | 761.72 | Joback Calculated Property |
| Cp,gas | 846.15 | J/mol×K | 794.72 | Joback Calculated Property |
| Cp,gas | 863.58 | J/mol×K | 827.71 | Joback Calculated Property |
| Cp,gas | 879.95 | J/mol×K | 860.71 | Joback Calculated Property |
| Cp,gas | 895.32 | J/mol×K | 893.71 | Joback Calculated Property |
| Cp,gas | 909.73 | J/mol×K | 926.71 | Joback Calculated Property |
| Cp,gas | 923.23 | J/mol×K | 959.70 | Joback Calculated Property |
| η | [0.0000608; 0.0010399] | Pa×s | [428.68; 761.72] |
|
| η | 0.0010399 | Pa×s | 428.68 | Joback Calculated Property |
| η | 0.0004938 | Pa×s | 484.19 | Joback Calculated Property |
| η | 0.0002733 | Pa×s | 539.69 | Joback Calculated Property |
| η | 0.0001689 | Pa×s | 595.20 | Joback Calculated Property |
| η | 0.0001133 | Pa×s | 650.71 | Joback Calculated Property |
| η | 0.0000810 | Pa×s | 706.21 | Joback Calculated Property |
| η | 0.0000608 | Pa×s | 761.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-tert-butyl-, nonyl ester.
Sources
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