- InChI
- InChI=1S/C8H6O/c1-2-7-4-3-5-8(9)6-7/h1,3-6,9H
- InChI Key
- AODMJIOEGCBUQL-UHFFFAOYSA-N
- Formula
- C8H6O
- SMILES
- C#Cc1cccc(O)c1
- Molecular Weight1
- 118.13
- CAS
- 10401-11-3
- ω : Acentric Factor.
- 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).
- 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 | 0.4587 | Relay (1.0) Calculated Property | |
| ΔfG° | 197.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 138.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.373 | Crippen Calculated Property | |
| McVol | 97.090 | ml/mol | McGowan Calculated Property |
| Pc | 5422.51 | kPa | Joback Calculated Property |
| Tboil | 503.44 | K | Relay (1.0) Calculated Property |
| Tc | 746.21 | K | Relay (1.0) Calculated Property |
| Tfus | 334.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.316 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.18; 241.18] | J/mol×K | [479.86; 723.96] | 
|
| Cp,gas | 193.18 | J/mol×K | 479.86 | Joback Calculated Property |
| Cp,gas | 203.21 | J/mol×K | 520.54 | Joback Calculated Property |
| Cp,gas | 212.28 | J/mol×K | 561.23 | Joback Calculated Property |
| Cp,gas | 220.51 | J/mol×K | 601.91 | Joback Calculated Property |
| Cp,gas | 228.00 | J/mol×K | 642.59 | Joback Calculated Property |
| Cp,gas | 234.86 | J/mol×K | 683.28 | Joback Calculated Property |
| Cp,gas | 241.18 | J/mol×K | 723.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hydroxyphenylacetylene.
Sources
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