- InChI
- InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
- InChI Key
- QELSKZZBTMNZEB-UHFFFAOYSA-N
- Formula
- C10H12O3
- SMILES
- CCCOC(=O)c1ccc(O)cc1
- Molecular Weight1
- 180.20
- CAS
- 94-13-3
- Other Names
-
- benzoic acid, 4-hydroxy-, propyl ester
- propyl p-hydroxybenzoate
- propylparaben
- 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).
- 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° | -242.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -435.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.27 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 123.70 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 62.30 | kJ/mol | Joback Calculated Property |
| log10WS | -2.59 | Aq. Sol... | |
| logPoct/wat | 1.959 | Crippen Calculated Property | |
| McVol | 141.310 | ml/mol | McGowan Calculated Property |
| Pc | 3664.21 | kPa | Joback Calculated Property |
| Inp | [1567.00; 1620.00] |
|
|
| Inp | 1567.00 | NIST | |
| Inp | 1567.00 | NIST | |
| Inp | 1567.00 | NIST | |
| Inp | 1620.00 | NIST | |
| Tboil | 611.79 | K | Joback Calculated Property |
| Tc | 835.24 | K | Joback Calculated Property |
| Tfus | [369.20; 369.90] | K |
|
| Tfus | 369.90 | K | Aq. Sol... |
| Tfus | 369.55 | K | Ternary... |
| Tfus | 369.40 | K | Solubil... |
| Tfus | 369.20 ± 0.50 | K | NIST |
| Vc | 0.477 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.48; 412.55] | J/mol×K | [611.79; 835.24] |
|
| Cp,gas | 350.48 | J/mol×K | 611.79 | Joback Calculated Property |
| Cp,gas | 362.58 | J/mol×K | 649.03 | Joback Calculated Property |
| Cp,gas | 373.90 | J/mol×K | 686.27 | Joback Calculated Property |
| Cp,gas | 384.49 | J/mol×K | 723.51 | Joback Calculated Property |
| Cp,gas | 394.42 | J/mol×K | 760.76 | Joback Calculated Property |
| Cp,gas | 403.75 | J/mol×K | 798.00 | Joback Calculated Property |
| Cp,gas | 412.55 | J/mol×K | 835.24 | Joback Calculated Property |
| η | [0.0000320; 0.0008548] | Pa×s | [412.76; 611.79] |
|
| η | 0.0008548 | Pa×s | 412.76 | Joback Calculated Property |
| η | 0.0004034 | Pa×s | 445.93 | Joback Calculated Property |
| η | 0.0002113 | Pa×s | 479.10 | Joback Calculated Property |
| η | 0.0001203 | Pa×s | 512.27 | Joback Calculated Property |
| η | 0.0000734 | Pa×s | 545.45 | Joback Calculated Property |
| η | 0.0000473 | Pa×s | 578.62 | Joback Calculated Property |
| η | 0.0000320 | Pa×s | 611.79 | Joback Calculated Property |
| ΔfusH | [27.20; 27.99] | kJ/mol | [369.20; 369.30] |
|
| ΔfusH | 27.99 | kJ/mol | 369.20 | NIST |
| ΔfusH | 27.20 | kJ/mol | 369.30 | NIST |
Similar Compounds
Find more compounds similar to propyl 4-hydroxybenzoate.
Mixtures
- Ethanol + propyl 4-hydroxybenzoate + Water
- propyl 4-hydroxybenzoate + Water
- Ethanol + propyl 4-hydroxybenzoate
- propyl 4-hydroxybenzoate + Methyl Alcohol + Water
- propyl 4-hydroxybenzoate + Methyl Alcohol
- Carbon dioxide + propyl 4-hydroxybenzoate
- Carbon dioxide + propyl 4-hydroxybenzoate + Cyclohexane
- Carbon dioxide + Acetone + propyl 4-hydroxybenzoate
Sources
- Crippen Method
- Ternary phase diagrams of ethyl paraben and propyl paraben in ethanol aqueous solvents
- Solubility and preferential solvation of some n-alkyl-parabens in methanol + water mixtures at 298.15 K
- Solubility of Propyl p-hydroxybenzoate in Supercritical Carbon Dioxide with and without Cosolvent
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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