- InChI
- InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-15-21-17-13-11-16(12-14-17)18(19)20/h11-14H,2-10,15H2,1H3,(H,19,20)
- InChI Key
- NEJZHJHZOUISSH-UHFFFAOYSA-N
- Formula
- C18H28O3
- SMILES
- CCCCCCCCCCCOc1ccc(C(=O)O)cc1
- Molecular Weight1
- 292.41
- CAS
- 15872-44-3
- Other Names
-
- Benzoic acid, 4-(undecyloxy)-
- 4-n-undecyloxybenzoic acid
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -167.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -586.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.44 | kJ/mol | Joback Calculated Property |
| log10WS | -5.84 | Crippen Calculated Property | |
| logPoct/wat | 5.294 | Crippen Calculated Property | |
| McVol | 254.030 | ml/mol | McGowan Calculated Property |
| Pc | 1610.29 | kPa | Joback Calculated Property |
| Tboil | 811.37 | K | Joback Calculated Property |
| Tc | 1003.09 | K | Joback Calculated Property |
| Tfus | 369.00 ± 1.00 | K | NIST |
| Vc | 0.979 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [776.80; 853.60] | J/mol×K | [811.37; 1003.09] | 
|
| Cp,gas | 776.80 | J/mol×K | 811.37 | Joback Calculated Property |
| Cp,gas | 791.76 | J/mol×K | 843.32 | Joback Calculated Property |
| Cp,gas | 805.81 | J/mol×K | 875.28 | Joback Calculated Property |
| Cp,gas | 819.00 | J/mol×K | 907.23 | Joback Calculated Property |
| Cp,gas | 831.33 | J/mol×K | 939.19 | Joback Calculated Property |
| Cp,gas | 842.86 | J/mol×K | 971.14 | Joback Calculated Property |
| Cp,gas | 853.60 | J/mol×K | 1003.09 | Joback Calculated Property |
| η | [0.0000169; 0.0007195] | Pa×s | [464.54; 811.37] |
|
| η | 0.0007195 | Pa×s | 464.54 | Joback Calculated Property |
| η | 0.0002725 | Pa×s | 522.34 | Joback Calculated Property |
| η | 0.0001253 | Pa×s | 580.15 | Joback Calculated Property |
| η | 0.0000663 | Pa×s | 637.95 | Joback Calculated Property |
| η | 0.0000390 | Pa×s | 695.76 | Joback Calculated Property |
| η | 0.0000249 | Pa×s | 753.56 | Joback Calculated Property |
| η | 0.0000169 | Pa×s | 811.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Undecyloxybenzoic acid.
Sources
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