- InChI
- InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
- InChI Key
- ISAOCJYIOMOJEB-UHFFFAOYSA-N
- Formula
- C14H12O2
- SMILES
- O=C(c1ccccc1)C(O)c1ccccc1
- Molecular Weight1
- 212.24
- CAS
- 119-53-9
- Other Names
-
- (.+/-.)-Benzoin
- .alpha.-hydroxy-.alpha.-phenylacetophenone
- 1,2-diphenyl-2-hydroxyethanone
- 2-Hydroxy-1,2-diphenylethan-1-one
- 2-hydroxy-1,2-diphenylethanone
- 2-hydroxy-2-phenylacetophenone
- Acetophenone, 2-hydroxy-2-phenyl-
- Benzoylphenylcarbinol
- Bitter almond oil camphor
- Ethanone, 2-hydroxy-1,2-diphenyl-
- Fenyl-«alpha»-hydroxybenzylketon
- Ketone, «alpha»-hydroxybenzyl phenyl
- NCI-C50011
- NSC 8082
- Phenyl-«alpha»-hydroxybenzyl ketone
- Wy 42956
- ethanone, 2-hydroxyl-1,2-diphenyl-
- «alpha»-Hydroxy-«alpha»-phenylacetophenone
- «alpha»-Hydroxybenzyl phenyl ketone
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6689 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -6976.00 ± 3.00 | kJ/mol | NIST |
| ΔfG° | 23.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -139.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -247.90 | kJ/mol | NIST |
| ΔfusH° | 35.85 | kJ/mol | Solubility of Benzoin in Six Monosolvents and in Some Binary Solvent Mixtures at Various Temperatures |
| ΔvapH° | 91.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | [-3.23; -2.85] |
|
|
| log10WS | -3.23 | Aq. Solubility Prediction | |
| log10WS | -2.85 | Estimated Solubility | |
| logPoct/wat | 2.603 | Crippen Calculated Property | |
| McVol | 168.040 | ml/mol | McGowan Calculated Property |
| Pc | 3314.37 | kPa | Joback Calculated Property |
| Tboil | 579.67 | K | Relay (1.0) Calculated Property |
| Tc | 891.71 | K | Relay (1.0) Calculated Property |
| Tfus | [406.00; 408.75] | K |
|
| Tfus | 408.75 | K | Aq. Solubility Prediction |
| Tfus | 406.50 ± 0.50 | K | NIST |
| Tfus | 408.00 ± 2.00 | K | NIST |
| Tfus | 406.00 ± 3.00 | K | NIST |
| Tfus | 407.00 ± 3.00 | K | NIST |
| Ttriple | 410.90 | K | Solubility Modeling and Mixing Properties for Benzoin in Different Monosolvents and Solvent Mixtures at the Temperature Range from 273.15 to 313.15 K |
| Vc | 0.605 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [442.76; 503.12] | J/mol×K | [718.69; 948.69] |
|
| Cp,gas | 442.76 | J/mol×K | 718.69 | Joback Calculated Property |
| Cp,gas | 455.12 | J/mol×K | 757.02 | Joback Calculated Property |
| Cp,gas | 466.48 | J/mol×K | 795.36 | Joback Calculated Property |
| Cp,gas | 476.88 | J/mol×K | 833.69 | Joback Calculated Property |
| Cp,gas | 486.41 | J/mol×K | 872.02 | Joback Calculated Property |
| Cp,gas | 495.13 | J/mol×K | 910.35 | Joback Calculated Property |
| Cp,gas | 503.12 | J/mol×K | 948.69 | Joback Calculated Property |
| η | [0.0000405; 0.0026796] | Pa×s | [396.13; 718.69] |
|
| η | 0.0026796 | Pa×s | 396.13 | Joback Calculated Property |
| η | 0.0008779 | Pa×s | 449.89 | Joback Calculated Property |
| η | 0.0003650 | Pa×s | 503.65 | Joback Calculated Property |
| η | 0.0001797 | Pa×s | 557.41 | Joback Calculated Property |
| η | 0.0001003 | Pa×s | 611.17 | Joback Calculated Property |
| η | 0.0000615 | Pa×s | 664.93 | Joback Calculated Property |
| η | 0.0000405 | Pa×s | 718.69 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [467.00; 617.00] | K | [1.60; 102.00] |
|
| Tboilr | 467.00 | K | 1.60 | NIST |
| Tboilr | 617.00 | K | 102.00 | NIST |
Similar Compounds
Find more compounds similar to Benzoin.
Mixtures
- Benzoin + Methyl Alcohol
- Benzoin + Ethanol
- Benzoin + 2-Propanol
- Benzoin + 1-Butanol
- Benzoin + Acetone
- Benzoin + Ethyl Acetate
- Benzoin + Acetonitrile
- Benzoin + Toluene
- Benzoin + Cyclohexane
- Benzoin + Acetic acid, butyl ester
- Benzoin + 1-Propanol
- Benzoin + 1-Propanol, 2-methyl-
- Benzoin + Ethanol + Ethyl Acetate
- Benzoin + Carbon dioxide
- Benzoin + Ethyl Acetate + Methyl Alcohol
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Determining the Solubility of Organic Compounds in Supercritical Carbon Dioxide Using Supercritical Fluid Chromatography Directly Interfaced to Supercritical Fluid Solubility Apparatus
- Solubility of Benzoin in Six Monosolvents and in Some Binary Solvent Mixtures at Various Temperatures
- Solubility Modeling and Mixing Properties for Benzoin in Different Monosolvents and Solvent Mixtures at the Temperature Range from 273.15 to 313.15 K
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.