- InChI
- InChI=1S/C17H18O2/c1-13(12-17(18)19-2)14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
- InChI Key
- CRQARNDWPSBDKT-UHFFFAOYSA-N
- Formula
- C17H18O2
- SMILES
-
COC(=O)CC(C)c1ccc(-c2ccccc2)cc
1 - Molecular Weight1
- 254.32
- CAS
- 24254-67-9
- Other Names
-
- 3-(4-Biphenylyl)butanoic acid methyl ester
- 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).
- 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° | 71.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -182.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.42 | kJ/mol | Joback Calculated Property |
| IE | 8.00 ± 0.20 | eV | NIST |
| log10WS | -4.96 | Crippen Calculated Property | |
| logPoct/wat | 4.020 | Crippen Calculated Property | |
| McVol | 210.310 | ml/mol | McGowan Calculated Property |
| Pc | 2165.35 | kPa | Joback Calculated Property |
| Tboil | 722.55 | K | Joback Calculated Property |
| Tc | 956.32 | K | Joback Calculated Property |
| Tfus | 403.87 | K | Joback Calculated Property |
| Vc | 0.789 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [571.89; 653.47] | J/mol×K | [722.55; 956.32] | 
|
| Cp,gas | 571.89 | J/mol×K | 722.55 | Joback Calculated Property |
| Cp,gas | 588.49 | J/mol×K | 761.51 | Joback Calculated Property |
| Cp,gas | 603.83 | J/mol×K | 800.47 | Joback Calculated Property |
| Cp,gas | 617.93 | J/mol×K | 839.44 | Joback Calculated Property |
| Cp,gas | 630.87 | J/mol×K | 878.40 | Joback Calculated Property |
| Cp,gas | 642.70 | J/mol×K | 917.36 | Joback Calculated Property |
| Cp,gas | 653.47 | J/mol×K | 956.32 | Joback Calculated Property |
| η | [0.0001008; 0.0012874] | Pa×s | [403.87; 722.55] |
|
| η | 0.0012874 | Pa×s | 403.87 | Joback Calculated Property |
| η | 0.0006579 | Pa×s | 456.98 | Joback Calculated Property |
| η | 0.0003866 | Pa×s | 510.10 | Joback Calculated Property |
| η | 0.0002512 | Pa×s | 563.21 | Joback Calculated Property |
| η | 0.0001758 | Pa×s | 616.32 | Joback Calculated Property |
| η | 0.0001302 | Pa×s | 669.44 | Joback Calculated Property |
| η | 0.0001008 | Pa×s | 722.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 3-(1,1'-biphenyl-4-yl)butanoate.
Sources
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