- InChI
- InChI=1S/C27H46O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-24-29-27(28)26-22-20-25(21-23-26)19-6-4-2/h20-23H,3-19,24H2,1-2H3
- InChI Key
- ULDIUVIOHZHOGE-UHFFFAOYSA-N
- Formula
- C27H46O2
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)c1ccc(CC
CC)cc1 - Molecular Weight1
- 402.66
- 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 | 1.1842 | Relay (1.0) Calculated Property | |
| ΔfG° | -31.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -690.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.667 | Crippen Calculated Property | |
| McVol | 374.970 | ml/mol | McGowan Calculated Property |
| Pc | 821.48 | kPa | Joback Calculated Property |
| Inp | [2952.60; 2952.60] |
|
|
| Inp | 2952.60 | NIST | |
| Inp | 2952.60 | NIST | |
| Tboil | 674.03 | K | Relay (1.0) Calculated Property |
| Tc | 872.34 | K | Relay (1.0) Calculated Property |
| Tfus | 290.65 | K | Relay (1.0) Calculated Property |
| Vc | 1.439 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1246.80; 1348.56] | J/mol×K | [907.24; 1110.75] |
|
| Cp,gas | 1246.80 | J/mol×K | 907.24 | Joback Calculated Property |
| Cp,gas | 1267.01 | J/mol×K | 941.16 | Joback Calculated Property |
| Cp,gas | 1285.84 | J/mol×K | 975.08 | Joback Calculated Property |
| Cp,gas | 1303.35 | J/mol×K | 1008.99 | Joback Calculated Property |
| Cp,gas | 1319.60 | J/mol×K | 1042.91 | Joback Calculated Property |
| Cp,gas | 1334.65 | J/mol×K | 1076.83 | Joback Calculated Property |
| Cp,gas | 1348.56 | J/mol×K | 1110.75 | Joback Calculated Property |
| η | [0.0000244; 0.0006175] | Pa×s | [475.32; 907.24] |
|
| η | 0.0006175 | Pa×s | 475.32 | Joback Calculated Property |
| η | 0.0002530 | Pa×s | 547.31 | Joback Calculated Property |
| η | 0.0001276 | Pa×s | 619.29 | Joback Calculated Property |
| η | 0.0000742 | Pa×s | 691.28 | Joback Calculated Property |
| η | 0.0000478 | Pa×s | 763.27 | Joback Calculated Property |
| η | 0.0000332 | Pa×s | 835.25 | Joback Calculated Property |
| η | 0.0000244 | Pa×s | 907.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, hexadecyl ester.
Sources
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