- InChI
- InChI=1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12)
- InChI Key
- ATZHGRNFEFVDDJ-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- CCCc1ccc(C(=O)O)cc1
- Molecular Weight1
- 164.20
- CAS
- 2438-05-3
- Other Names
-
- 4-Propylbenzoic acid
- Benzoic acid, 4-propyl-
- p-n-Propyl benzoic 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- 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 |
|---|---|---|---|
| ω | 0.7385 | Relay (1.0) Calculated Property | |
| ΔfG° | -129.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -367.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.67 | kJ/mol | Thermodynamic study of the sublimation of eight 4-n-alkylbenzoic acids |
| ΔsubH° | 109.10 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 91.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.337 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 3431.89 | kPa | Joback Calculated Property |
| Tboil | 556.42 | K | Relay (1.0) Calculated Property |
| Tc | 768.97 | K | Relay (1.0) Calculated Property |
| Tfus | 422.00 ± 0.20 | K | NIST |
| Vc | 0.486 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.71; 384.07] | J/mol×K | [605.91; 807.12] | 
|
| Cp,gas | 326.71 | J/mol×K | 605.91 | Joback Calculated Property |
| Cp,gas | 337.80 | J/mol×K | 639.45 | Joback Calculated Property |
| Cp,gas | 348.25 | J/mol×K | 672.98 | Joback Calculated Property |
| Cp,gas | 358.07 | J/mol×K | 706.52 | Joback Calculated Property |
| Cp,gas | 367.30 | J/mol×K | 740.05 | Joback Calculated Property |
| Cp,gas | 375.96 | J/mol×K | 773.59 | Joback Calculated Property |
| Cp,gas | 384.07 | J/mol×K | 807.12 | Joback Calculated Property |
| η | [0.0000889; 0.0039982] | Pa×s | [352.15; 605.91] |
|
| η | 0.0039982 | Pa×s | 352.15 | Joback Calculated Property |
| η | 0.0015091 | Pa×s | 394.44 | Joback Calculated Property |
| η | 0.0006879 | Pa×s | 436.74 | Joback Calculated Property |
| η | 0.0003602 | Pa×s | 479.03 | Joback Calculated Property |
| η | 0.0002095 | Pa×s | 521.32 | Joback Calculated Property |
| η | 0.0001322 | Pa×s | 563.62 | Joback Calculated Property |
| η | 0.0000889 | Pa×s | 605.91 | Joback Calculated Property |
| ΔfusH | 23.30 | kJ/mol | 422.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [410.02; 600.43] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.37953e+01 | |||
| Coefficient B | -4.34318e+03 | |||
| Coefficient C | -8.84900e+01 | |||
| Temperature range, min. | 410.02 | |||
| Temperature range, max. | 600.43 | |||
| Pvap | 1.33 | kPa | 410.02 | Calculated Property |
| Pvap | 3.07 | kPa | 431.18 | Calculated Property |
| Pvap | 6.41 | kPa | 452.33 | Calculated Property |
| Pvap | 12.36 | kPa | 473.49 | Calculated Property |
| Pvap | 22.24 | kPa | 494.65 | Calculated Property |
| Pvap | 37.76 | kPa | 515.80 | Calculated Property |
| Pvap | 61.00 | kPa | 536.96 | Calculated Property |
| Pvap | 94.36 | kPa | 558.12 | Calculated Property |
| Pvap | 140.58 | kPa | 579.27 | Calculated Property |
| Pvap | 202.66 | kPa | 600.43 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-n-Propylbenzoic acid.
Sources
- Cheméo Relay (1.0)
- 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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