- InChI
- InChI=1S/C10H12O3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
- InChI Key
- GDFUWFOCYZZGQU-UHFFFAOYSA-N
- Formula
- C10H12O3
- SMILES
- CCCOc1ccc(C(=O)O)cc1
- Molecular Weight1
- 180.20
- CAS
- 5438-19-7
- Other Names
-
- 4-n-Propoxybenzoic acid
- 4-n-propyloxybenzoic acid
- 4-propyloxybenzoic acid
- Benzoic acid, 4-propoxy-
- Benzoic acid, p-propoxy-
- Para -4- Propoxy Benzoic Acid
- benzoic acid, 4-propyloxy-
- p-Propoxybenzoic acid
- p-Propyloxybenzoic acid
- p-n-Propoxybenzoic 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).
- 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 | 0.7840 | Relay (1.0) Calculated Property | |
| ΔfG° | -234.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -503.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.19 | kJ/mol | Thermodynamic Study of 4-n-Alkyloxybenzoic Acids |
| ΔvapH° | 93.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.174 | Crippen Calculated Property | |
| McVol | 141.310 | ml/mol | McGowan Calculated Property |
| Pc | 3364.54 | kPa | Joback Calculated Property |
| Tboil | 574.95 | K | Relay (1.0) Calculated Property |
| Tc | 772.22 | K | Relay (1.0) Calculated Property |
| Tfus | 437.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.512 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.22; 406.96] | J/mol×K | [628.33; 827.77] | 
|
| Cp,gas | 350.22 | J/mol×K | 628.33 | Joback Calculated Property |
| Cp,gas | 361.17 | J/mol×K | 661.57 | Joback Calculated Property |
| Cp,gas | 371.50 | J/mol×K | 694.81 | Joback Calculated Property |
| Cp,gas | 381.24 | J/mol×K | 728.05 | Joback Calculated Property |
| Cp,gas | 390.39 | J/mol×K | 761.29 | Joback Calculated Property |
| Cp,gas | 398.96 | J/mol×K | 794.53 | Joback Calculated Property |
| Cp,gas | 406.96 | J/mol×K | 827.77 | Joback Calculated Property |
| η | [0.0000667; 0.0024094] | Pa×s | [374.38; 628.33] |
|
| η | 0.0024094 | Pa×s | 374.38 | Joback Calculated Property |
| η | 0.0009783 | Pa×s | 416.70 | Joback Calculated Property |
| η | 0.0004691 | Pa×s | 459.03 | Joback Calculated Property |
| η | 0.0002546 | Pa×s | 501.35 | Joback Calculated Property |
| η | 0.0001520 | Pa×s | 543.68 | Joback Calculated Property |
| η | 0.0000978 | Pa×s | 586.00 | Joback Calculated Property |
| η | 0.0000667 | Pa×s | 628.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Propoxybenzoic acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Thermodynamic Study of 4-n-Alkyloxybenzoic Acids
- Joback Method
- McGowan Method
- NIST Webbook
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