- InChI
- InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H
- InChI Key
- UIGLAZDLBZDVBL-UHFFFAOYSA-N
- Formula
- C9H8O
- SMILES
- C#CC(O)c1ccccc1
- Molecular Weight1
- 132.16
- CAS
- 4187-87-5
- Other Names
-
- Benzyl alcohol, «alpha»-ethynyl-
- «alpha»-Ethynylbenzyl alcohol
- «alpha»-Phenylpropargyl alcohol
- Phenylethynylcarbinol
- 1-Phenylpropargyl alcohol
- 2-Propyn-1-ol, 1-phenyl-
- 1-Phenyl-2-propyn-1-ol
- 1-Phenyl-2-propyne-1-ol
- Ethynylphenylcarbinol
- NSC 4326
- 1-phenylprop-2-yn-1-ol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 221.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 141.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.05 | kJ/mol | Joback Calculated Property |
| IE | 10.69 | eV | NIST |
| log10WS | -2.21 | Crippen Calculated Property | |
| logPoct/wat | 1.353 | Crippen Calculated Property | |
| McVol | 111.180 | ml/mol | McGowan Calculated Property |
| Pc | 4426.72 | kPa | Joback Calculated Property |
| Tboil | 513.86 | K | Joback Calculated Property |
| Tc | 727.25 | K | Joback Calculated Property |
| Tfus | 310.40 | K | Joback Calculated Property |
| Vc | 0.406 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.40; 284.97] | J/mol×K | [513.86; 727.25] | 
|
| Cp,gas | 232.40 | J/mol×K | 513.86 | Joback Calculated Property |
| Cp,gas | 242.80 | J/mol×K | 549.42 | Joback Calculated Property |
| Cp,gas | 252.49 | J/mol×K | 584.99 | Joback Calculated Property |
| Cp,gas | 261.52 | J/mol×K | 620.55 | Joback Calculated Property |
| Cp,gas | 269.91 | J/mol×K | 656.12 | Joback Calculated Property |
| Cp,gas | 277.71 | J/mol×K | 691.68 | Joback Calculated Property |
| Cp,gas | 284.97 | J/mol×K | 727.25 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 388.00 ± 1.00 | K | 1.90 | NIST |
Similar Compounds
Find more compounds similar to Benzenemethanol, «alpha»-ethynyl-.
Sources
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