- InChI
- InChI=1S/C26H44O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-25(27)23-18-20-24(21-19-23)26(2,3)4/h18-21H,5-17,22H2,1-4H3
- InChI Key
- VWYKFDOLYZLSLQ-UHFFFAOYSA-N
- Formula
- C26H44O2
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)c1ccc(C(C
)(C)C)cc1 - Molecular Weight1
- 388.63
- 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 | 1.0760 | Relay (1.0) Calculated Property | |
| ΔfG° | 39.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -668.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.232 | Crippen Calculated Property | |
| McVol | 360.880 | ml/mol | McGowan Calculated Property |
| Pc | 900.18 | kPa | Joback Calculated Property |
| Inp | [2883.00; 2883.00] |
|
|
| Inp | 2883.00 | NIST | |
| Inp | 2883.00 | NIST | |
| Tboil | 652.65 | K | Relay (1.0) Calculated Property |
| Tc | 864.63 | K | Relay (1.0) Calculated Property |
| Tfus | 305.29 | K | Relay (1.0) Calculated Property |
| Vc | 1.373 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1192.75; 1294.43] | J/mol×K | [899.00; 1102.64] |
|
| Cp,gas | 1192.75 | J/mol×K | 899.00 | Joback Calculated Property |
| Cp,gas | 1212.55 | J/mol×K | 932.94 | Joback Calculated Property |
| Cp,gas | 1231.12 | J/mol×K | 966.88 | Joback Calculated Property |
| Cp,gas | 1248.52 | J/mol×K | 1000.82 | Joback Calculated Property |
| Cp,gas | 1264.82 | J/mol×K | 1034.76 | Joback Calculated Property |
| Cp,gas | 1280.11 | J/mol×K | 1068.70 | Joback Calculated Property |
| Cp,gas | 1294.43 | J/mol×K | 1102.64 | Joback Calculated Property |
| η | [0.0000252; 0.0005181] | Pa×s | [496.30; 899.00] |
|
| η | 0.0005181 | Pa×s | 496.30 | Joback Calculated Property |
| η | 0.0002319 | Pa×s | 563.42 | Joback Calculated Property |
| η | 0.0001232 | Pa×s | 630.53 | Joback Calculated Property |
| η | 0.0000739 | Pa×s | 697.65 | Joback Calculated Property |
| η | 0.0000485 | Pa×s | 764.77 | Joback Calculated Property |
| η | 0.0000340 | Pa×s | 831.88 | Joback Calculated Property |
| η | 0.0000252 | Pa×s | 899.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-tert-butyl-, pentadecyl ester.
Sources
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