- InChI
- InChI=1S/C18H20O3/c1-3-4-5-14-6-8-15(9-7-14)18(19)21-17-12-10-16(20-2)11-13-17/h6-13H,3-5H2,1-2H3
- InChI Key
- BISLKTRYMAGJLH-UHFFFAOYSA-N
- Formula
- C18H20O3
- SMILES
-
CCCCc1ccc(C(=O)Oc2ccc(OC)cc2)c
c1 - Molecular Weight1
- 284.35
- CAS
- 35684-23-2
- Other Names
-
- 4-Butylbenzoic acid, 4-methoxyphenyl 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).
- 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 |
|---|---|---|---|
| ΔfG° | -32.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -341.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.10 | kJ/mol | Joback Calculated Property |
| log10WS | -5.32 | Crippen Calculated Property | |
| logPoct/wat | 4.257 | Crippen Calculated Property | |
| McVol | 230.270 | ml/mol | McGowan Calculated Property |
| Pc | 1915.26 | kPa | Joback Calculated Property |
| Inp | 2351.00 | NIST | |
| Tboil | 773.27 | K | Joback Calculated Property |
| Tc | 997.10 | K | Joback Calculated Property |
| Tfus | 464.89 | K | Joback Calculated Property |
| Vc | 0.870 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [652.57; 730.12] | J/mol×K | [773.27; 997.10] | 
|
| Cp,gas | 652.57 | J/mol×K | 773.27 | Joback Calculated Property |
| Cp,gas | 668.43 | J/mol×K | 810.58 | Joback Calculated Property |
| Cp,gas | 683.08 | J/mol×K | 847.88 | Joback Calculated Property |
| Cp,gas | 696.55 | J/mol×K | 885.19 | Joback Calculated Property |
| Cp,gas | 708.86 | J/mol×K | 922.49 | Joback Calculated Property |
| Cp,gas | 720.04 | J/mol×K | 959.80 | Joback Calculated Property |
| Cp,gas | 730.12 | J/mol×K | 997.10 | Joback Calculated Property |
| η | [0.0000752; 0.0006204] | Pa×s | [464.89; 773.27] |
|
| η | 0.0006204 | Pa×s | 464.89 | Joback Calculated Property |
| η | 0.0003663 | Pa×s | 516.29 | Joback Calculated Property |
| η | 0.0002380 | Pa×s | 567.68 | Joback Calculated Property |
| η | 0.0001661 | Pa×s | 619.08 | Joback Calculated Property |
| η | 0.0001225 | Pa×s | 670.48 | Joback Calculated Property |
| η | 0.0000943 | Pa×s | 721.87 | Joback Calculated Property |
| η | 0.0000752 | Pa×s | 773.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-butyl-, 4-methoxyphenyl ester.
Sources
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