- InChI
- InChI=1S/C25H42O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-21-27-24(26)22-17-19-23(20-18-22)25(2,3)4/h17-20H,5-16,21H2,1-4H3
- InChI Key
- CGLITVALXPCPLD-UHFFFAOYSA-N
- Formula
- C25H42O2
- SMILES
-
CCCCCCCCCCCCCCOC(=O)c1ccc(C(C)
(C)C)cc1 - Molecular Weight1
- 374.60
- 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 | 1.0403 | Relay (1.0) Calculated Property | |
| ΔfG° | 31.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -647.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.842 | Crippen Calculated Property | |
| McVol | 346.790 | ml/mol | McGowan Calculated Property |
| Pc | 954.37 | kPa | Joback Calculated Property |
| Inp | 2786.00 | NIST | |
| Tboil | 645.65 | K | Relay (1.0) Calculated Property |
| Tc | 857.43 | K | Relay (1.0) Calculated Property |
| Tfus | 303.57 | K | Relay (1.0) Calculated Property |
| Vc | 1.317 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1130.09; 1230.51] | J/mol×K | [876.12; 1076.98] | 
|
| Cp,gas | 1130.09 | J/mol×K | 876.12 | Joback Calculated Property |
| Cp,gas | 1149.62 | J/mol×K | 909.60 | Joback Calculated Property |
| Cp,gas | 1167.94 | J/mol×K | 943.07 | Joback Calculated Property |
| Cp,gas | 1185.13 | J/mol×K | 976.55 | Joback Calculated Property |
| Cp,gas | 1201.24 | J/mol×K | 1010.02 | Joback Calculated Property |
| Cp,gas | 1216.35 | J/mol×K | 1043.50 | Joback Calculated Property |
| Cp,gas | 1230.51 | J/mol×K | 1076.98 | Joback Calculated Property |
| η | [0.0000293; 0.0005871] | Pa×s | [485.03; 876.12] |
|
| η | 0.0005871 | Pa×s | 485.03 | Joback Calculated Property |
| η | 0.0002651 | Pa×s | 550.21 | Joback Calculated Property |
| η | 0.0001417 | Pa×s | 615.39 | Joback Calculated Property |
| η | 0.0000853 | Pa×s | 680.58 | Joback Calculated Property |
| η | 0.0000562 | Pa×s | 745.76 | Joback Calculated Property |
| η | 0.0000396 | Pa×s | 810.94 | Joback Calculated Property |
| η | 0.0000293 | Pa×s | 876.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-tert-butyl-, tetradecyl ester.
Sources
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