- InChI
- InChI=1S/C26H44O2/c1-4-7-9-10-11-12-13-14-15-16-18-25(6-3)28-26(27)24-21-19-23(20-22-24)17-8-5-2/h19-22,25H,4-18H2,1-3H3
- InChI Key
- AVNOFVVLPCGKLL-UHFFFAOYSA-N
- Formula
- C26H44O2
- SMILES
-
CCCCCCCCCCCCC(CC)OC(=O)c1ccc(C
CCC)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 | 1.0993 | Relay (1.0) Calculated Property | |
| ΔfG° | 34.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -677.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.276 | Crippen Calculated Property | |
| McVol | 360.880 | ml/mol | McGowan Calculated Property |
| Pc | 894.27 | kPa | Joback Calculated Property |
| Inp | [2717.00; 2717.00] |
|
|
| Inp | 2717.00 | NIST | |
| Inp | 2717.00 | NIST | |
| Tboil | 665.05 | K | Relay (1.0) Calculated Property |
| Tc | 857.90 | K | Relay (1.0) Calculated Property |
| Tfus | 276.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.362 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1193.09; 1293.79] | J/mol×K | [901.79; 1104.83] |
|
| Cp,gas | 1193.09 | J/mol×K | 901.79 | Joback Calculated Property |
| Cp,gas | 1212.95 | J/mol×K | 935.63 | Joback Calculated Property |
| Cp,gas | 1231.52 | J/mol×K | 969.47 | Joback Calculated Property |
| Cp,gas | 1248.82 | J/mol×K | 1003.31 | Joback Calculated Property |
| Cp,gas | 1264.94 | J/mol×K | 1037.15 | Joback Calculated Property |
| Cp,gas | 1279.91 | J/mol×K | 1070.99 | Joback Calculated Property |
| Cp,gas | 1293.79 | J/mol×K | 1104.83 | Joback Calculated Property |
| η | [0.0000297; 0.0006471] | Pa×s | [478.88; 901.79] |
|
| η | 0.0006471 | Pa×s | 478.88 | Joback Calculated Property |
| η | 0.0002785 | Pa×s | 549.37 | Joback Calculated Property |
| η | 0.0001452 | Pa×s | 619.85 | Joback Calculated Property |
| η | 0.0000865 | Pa×s | 690.34 | Joback Calculated Property |
| η | 0.0000567 | Pa×s | 760.82 | Joback Calculated Property |
| η | 0.0000399 | Pa×s | 831.31 | Joback Calculated Property |
| η | 0.0000297 | Pa×s | 901.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 3-pentadecyl ester.
Sources
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