- InChI
- InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,8H2
- InChI Key
- NITUNGCLDSFVDL-UHFFFAOYSA-N
- Formula
- C9H8O
- SMILES
- OCC#Cc1ccccc1
- Molecular Weight1
- 132.16
- CAS
- 1504-58-1
- Other Names
-
- 2-Propyn-1-ol, 3-phenyl-
- 3-phenyl-prop-2-yn-1-ol
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid 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).
- 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 | 0.5402 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -4764.70 | kJ/mol | NIST |
| ΔfG° | 203.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 146.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | [-49.80; 79.80] | kJ/mol |
|
| ΔfH°liquid | 79.80 ± 4.00 | kJ/mol | NIST |
| ΔfH°liquid | -49.80 | kJ/mol | NIST |
| ΔfusH° | 20.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.030 | Crippen Calculated Property | |
| McVol | 111.180 | ml/mol | McGowan Calculated Property |
| Pc | 4450.38 | kPa | Joback Calculated Property |
| Tboil | 524.60 | K | Relay (1.0) Calculated Property |
| Tc | 757.31 | K | Relay (1.0) Calculated Property |
| Tfus | 297.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.375 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.70; 284.03] | J/mol×K | [533.18; 753.32] |
|
| Cp,gas | 230.70 | J/mol×K | 533.18 | Joback Calculated Property |
| Cp,gas | 241.14 | J/mol×K | 569.87 | Joback Calculated Property |
| Cp,gas | 250.92 | J/mol×K | 606.56 | Joback Calculated Property |
| Cp,gas | 260.06 | J/mol×K | 643.25 | Joback Calculated Property |
| Cp,gas | 268.61 | J/mol×K | 679.94 | Joback Calculated Property |
| Cp,gas | 276.58 | J/mol×K | 716.63 | Joback Calculated Property |
| Cp,gas | 284.03 | J/mol×K | 753.32 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 402.50 ± 0.50 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to 3-Phenyl-2-propyn-1-ol.
Sources
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