- InChI
- InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3
- InChI Key
- QFOHBWFCKVYLES-UHFFFAOYSA-N
- Formula
- C11H14O3
- SMILES
- CCCCOC(=O)c1ccc(O)cc1
- Molecular Weight1
- 194.23
- CAS
- 94-26-8
- Other Names
-
- 4-(Butoxycarbonyl)phenol
- 4-Hydroxybenzoic acid, butyl ester
- Aseptoform butyl
- Benzoic acid, 4-hydroxy-, butyl ester
- Benzoic acid, p-hydroxy-, butyl ester
- Butoben
- Butyl 4-hydroxybenzoate
- Butyl Butex
- Butyl Tegosept
- Butyl chemosept
- Butyl p-hydroxybenzoate
- Butyl parasept
- Lexgard B
- NSC 8475
- Nipabutyl
- Preserval B
- SPF
- Solbrol B
- Tegosept B
- Tegosept butyl
- butyl paraben
- n-Butyl p-hydroxybenzoate
- n-Butyl parahydroxybenzoate
- n-Butyl-4-hydroxybenzoate
- n-Butyl-paraben
- p-Hydroxybenzoic acid, butyl ester
- p-Hydroxybenzoic acid, n-butyl 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).
- 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° | -234.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -455.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.54 | kJ/mol | Thermod... |
| ΔsubH° | 108.40 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 64.53 | kJ/mol | Joback Calculated Property |
| log10WS | [-3.10; -2.86] |
|
|
| log10WS | -2.86 | Aq. Sol... | |
| log10WS | -3.10 | Rytting... | |
| logPoct/wat | 2.349 | Crippen Calculated Property | |
| McVol | 155.400 | ml/mol | McGowan Calculated Property |
| Pc | 3272.78 | kPa | Joback Calculated Property |
| Inp | [1665.00; 1671.00] |
|
|
| Inp | 1671.00 | NIST | |
| Inp | 1665.00 | NIST | |
| Tboil | 634.67 | K | Joback Calculated Property |
| Tc | 854.09 | K | Joback Calculated Property |
| Tfus | 342.20 | K | Aq. Sol... |
| Vc | 0.533 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.53; 464.78] | J/mol×K | [634.67; 854.09] |
|
| Cp,gas | 398.53 | J/mol×K | 634.67 | Joback Calculated Property |
| Cp,gas | 411.37 | J/mol×K | 671.24 | Joback Calculated Property |
| Cp,gas | 423.41 | J/mol×K | 707.81 | Joback Calculated Property |
| Cp,gas | 434.71 | J/mol×K | 744.38 | Joback Calculated Property |
| Cp,gas | 445.32 | J/mol×K | 780.95 | Joback Calculated Property |
| Cp,gas | 455.33 | J/mol×K | 817.52 | Joback Calculated Property |
| Cp,gas | 464.78 | J/mol×K | 854.09 | Joback Calculated Property |
| η | [0.0000257; 0.0007210] | Pa×s | [424.03; 634.67] |
|
| η | 0.0007210 | Pa×s | 424.03 | Joback Calculated Property |
| η | 0.0003344 | Pa×s | 459.14 | Joback Calculated Property |
| η | 0.0001730 | Pa×s | 494.24 | Joback Calculated Property |
| η | 0.0000977 | Pa×s | 529.35 | Joback Calculated Property |
| η | 0.0000592 | Pa×s | 564.46 | Joback Calculated Property |
| η | 0.0000380 | Pa×s | 599.56 | Joback Calculated Property |
| η | 0.0000257 | Pa×s | 634.67 | Joback Calculated Property |
| ΔfusH | 26.60 | kJ/mol | 341.80 | NIST |
Similar Compounds
Find more compounds similar to Butylparaben.
Mixtures
- Butylparaben + Methyl Alcohol
- Butylparaben + Ethanol
- Butylparaben + Acetone
- Butylparaben + 1-Propanol
- Butylparaben + Ethyl Acetate
- Butylparaben + Acetonitrile
- Butylparaben + Water
- Butylparaben + Ethanol + Water
Sources
- Crippen Method
- Phase equilibrium and mechanisms of crystallization in liquid-liquid phase separating system
- Thermodynamics of molecular solids in organic solvents
- Solubility of Butyl Paraben in Methanol, Ethanol, Propanol, Ethyl Acetate, Acetone, and Acetonitrile
- Solubility of Parabens in Subcritical Water
- Joback Method
- Aqueous Solubility Prediction Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
- NIST Webbook
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