- InChI
- InChI=1S/C17H26O3/c18-17(19)14-10-5-3-1-2-4-6-11-15-20-16-12-8-7-9-13-16/h7-9,12-13H,1-6,10-11,14-15H2,(H,18,19)
- InChI Key
- FRSQLPPSRJNREN-UHFFFAOYSA-N
- Formula
- C17H26O3
- SMILES
- O=C(O)CCCCCCCCCCOc1ccccc1
- Molecular Weight1
- 278.39
- CAS
- 7170-44-7
- Other Names
-
- 11-Phenoxyundecanoic acid
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 1.0318 | Relay (1.0) Calculated Property | |
| ΔfG° | -166.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -624.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.661 | Crippen Calculated Property | |
| McVol | 239.940 | ml/mol | McGowan Calculated Property |
| Pc | 1763.93 | kPa | Joback Calculated Property |
| Tboil | 634.42 | K | Relay (1.0) Calculated Property |
| Tc | 848.71 | K | Relay (1.0) Calculated Property |
| Tfus | 367.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.897 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [720.27; 795.71] | J/mol×K | [783.51; 973.47] | 
|
| Cp,gas | 720.27 | J/mol×K | 783.51 | Joback Calculated Property |
| Cp,gas | 734.92 | J/mol×K | 815.17 | Joback Calculated Property |
| Cp,gas | 748.70 | J/mol×K | 846.83 | Joback Calculated Property |
| Cp,gas | 761.64 | J/mol×K | 878.49 | Joback Calculated Property |
| Cp,gas | 773.77 | J/mol×K | 910.15 | Joback Calculated Property |
| Cp,gas | 785.12 | J/mol×K | 941.81 | Joback Calculated Property |
| Cp,gas | 795.71 | J/mol×K | 973.47 | Joback Calculated Property |
| η | [0.0000203; 0.0011083] | Pa×s | [440.75; 783.51] |
|
| η | 0.0011083 | Pa×s | 440.75 | Joback Calculated Property |
| η | 0.0003879 | Pa×s | 497.88 | Joback Calculated Property |
| η | 0.0001685 | Pa×s | 555.00 | Joback Calculated Property |
| η | 0.0000856 | Pa×s | 612.13 | Joback Calculated Property |
| η | 0.0000488 | Pa×s | 669.26 | Joback Calculated Property |
| η | 0.0000304 | Pa×s | 726.38 | Joback Calculated Property |
| η | 0.0000203 | Pa×s | 783.51 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 492.70 | K | 0.40 | NIST |
Similar Compounds
Find more compounds similar to Undecanoic acid, 11-phenoxy-.
Sources
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