- InChI
- InChI=1S/C11H14O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H,12,13)
- InChI Key
- JFKUBRAOUZEZSL-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CCCCc1ccc(C(=O)O)cc1
- Molecular Weight1
- 178.23
- CAS
- 20651-71-2
- Other Names
-
- Benzoic acid, 4-butyl-
- p-n-Butylbenzoic 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).
- ΔsubH° : Enthalpy of sublimation 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).
- Pvap : Vapor 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° | -121.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -310.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 0.76 | kJ/mol | Thermod... |
| ΔsubH° | 110.50 ± 0.70 | kJ/mol | NIST |
| ΔvapH° | 66.44 | kJ/mol | Joback Calculated Property |
| log10WS | -3.17 | Crippen Calculated Property | |
| logPoct/wat | 2.727 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 3076.16 | kPa | Joback Calculated Property |
| Tboil | 628.79 | K | Joback Calculated Property |
| Tc | 827.28 | K | Joback Calculated Property |
| Tfus | 377.00 ± 1.00 | K | NIST |
| Vc | 0.569 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [374.63; 435.88] | J/mol×K | [628.79; 827.28] | 
|
| Cp,gas | 374.63 | J/mol×K | 628.79 | Joback Calculated Property |
| Cp,gas | 386.44 | J/mol×K | 661.87 | Joback Calculated Property |
| Cp,gas | 397.58 | J/mol×K | 694.95 | Joback Calculated Property |
| Cp,gas | 408.07 | J/mol×K | 728.04 | Joback Calculated Property |
| Cp,gas | 417.93 | J/mol×K | 761.12 | Joback Calculated Property |
| Cp,gas | 427.19 | J/mol×K | 794.20 | Joback Calculated Property |
| Cp,gas | 435.88 | J/mol×K | 827.28 | Joback Calculated Property |
| η | [0.0000758; 0.0034768] | Pa×s | [363.42; 628.79] |
|
| η | 0.0034768 | Pa×s | 363.42 | Joback Calculated Property |
| η | 0.0013004 | Pa×s | 407.65 | Joback Calculated Property |
| η | 0.0005896 | Pa×s | 451.88 | Joback Calculated Property |
| η | 0.0003078 | Pa×s | 496.11 | Joback Calculated Property |
| η | 0.0001788 | Pa×s | 540.33 | Joback Calculated Property |
| η | 0.0001127 | Pa×s | 584.56 | Joback Calculated Property |
| η | 0.0000758 | Pa×s | 628.79 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [411.80; 621.71] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.30427e+01 | |||
| Coefficient B | -4.12031e+03 | |||
| Coefficient C | -8.87680e+01 | |||
| Temperature range, min. | 411.80 | |||
| Temperature range, max. | 621.71 | |||
| Pvap | 1.33 | kPa | 411.80 | Calculated Property |
| Pvap | 3.15 | kPa | 435.12 | Calculated Property |
| Pvap | 6.67 | kPa | 458.45 | Calculated Property |
| Pvap | 12.92 | kPa | 481.77 | Calculated Property |
| Pvap | 23.24 | kPa | 505.09 | Calculated Property |
| Pvap | 39.29 | kPa | 528.42 | Calculated Property |
| Pvap | 62.99 | kPa | 551.74 | Calculated Property |
| Pvap | 96.53 | kPa | 575.06 | Calculated Property |
| Pvap | 142.26 | kPa | 598.39 | Calculated Property |
| Pvap | 202.64 | kPa | 621.71 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid.
Sources
- Crippen Method
- Crippen Method
- Thermodynamic study of the sublimation of eight 4-n-alkylbenzoic acids
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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