- InChI
- InChI=1S/C28H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-30-27(29)25-20-22-26(23-21-25)28(2,3)4/h20-23H,5-19,24H2,1-4H3
- InChI Key
- OKNBIEFPBAWQLK-UHFFFAOYSA-N
- Formula
- C28H48O2
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)c1ccc(C
(C)(C)C)cc1 - Molecular Weight1
- 416.68
- 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 | 1.1473 | Relay (1.0) Calculated Property | |
| ΔfG° | 56.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -710.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.012 | Crippen Calculated Property | |
| McVol | 389.060 | ml/mol | McGowan Calculated Property |
| Pc | 804.79 | kPa | Joback Calculated Property |
| Inp | [3093.00; 3093.00] |
|
|
| Inp | 3093.00 | NIST | |
| Inp | 3093.00 | NIST | |
| Tboil | 666.24 | K | Relay (1.0) Calculated Property |
| Tc | 878.22 | K | Relay (1.0) Calculated Property |
| Tfus | 307.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.483 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1319.80; 1424.67] | J/mol×K | [944.76; 1156.65] |
|
| Cp,gas | 1319.80 | J/mol×K | 944.76 | Joback Calculated Property |
| Cp,gas | 1340.32 | J/mol×K | 980.08 | Joback Calculated Property |
| Cp,gas | 1359.50 | J/mol×K | 1015.39 | Joback Calculated Property |
| Cp,gas | 1377.44 | J/mol×K | 1050.71 | Joback Calculated Property |
| Cp,gas | 1394.22 | J/mol×K | 1086.02 | Joback Calculated Property |
| Cp,gas | 1409.94 | J/mol×K | 1121.34 | Joback Calculated Property |
| Cp,gas | 1424.67 | J/mol×K | 1156.65 | Joback Calculated Property |
| η | [0.0000185; 0.0004001] | Pa×s | [518.84; 944.76] |
|
| η | 0.0004001 | Pa×s | 518.84 | Joback Calculated Property |
| η | 0.0001761 | Pa×s | 589.83 | Joback Calculated Property |
| η | 0.0000925 | Pa×s | 660.81 | Joback Calculated Property |
| η | 0.0000550 | Pa×s | 731.80 | Joback Calculated Property |
| η | 0.0000359 | Pa×s | 802.79 | Joback Calculated Property |
| η | 0.0000251 | Pa×s | 873.77 | Joback Calculated Property |
| η | 0.0000185 | Pa×s | 944.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-tert-butyl-, heptadecyl ester.
Sources
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