- InChI
- InChI=1S/C9H8O/c1-3-8-4-6-9(10-2)7-5-8/h1,4-7H,2H3
- InChI Key
- KBIAVTUACPKPFJ-UHFFFAOYSA-N
- Formula
- C9H8O
- SMILES
- C#Cc1ccc(OC)cc1
- Molecular Weight1
- 132.16
- CAS
- 768-60-5
- Other Names
-
- 4-Methoxyphenylacetylene
- 4-CH3O-C6H4-CCH
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- ΔfusH° : Enthalpy of fusion 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).
- 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 |
|---|---|---|---|
| PAff | 886.40 | kJ/mol | NIST |
| BasG | 855.70 | kJ/mol | NIST |
| ΔfG° | 245.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 155.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.83 | kJ/mol | Joback Calculated Property |
| log10WS | -2.29 | Crippen Calculated Property | |
| logPoct/wat | 1.676 | Crippen Calculated Property | |
| McVol | 111.180 | ml/mol | McGowan Calculated Property |
| Pc | 3740.80 | kPa | Joback Calculated Property |
| Tboil | 449.52 | K | Joback Calculated Property |
| Tc | 672.74 | K | Joback Calculated Property |
| Tfus | 299.33 | K | Joback Calculated Property |
| Vc | 0.411 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.43; 269.13] | J/mol×K | [449.52; 672.74] | 
|
| Cp,gas | 209.43 | J/mol×K | 449.52 | Joback Calculated Property |
| Cp,gas | 220.89 | J/mol×K | 486.72 | Joback Calculated Property |
| Cp,gas | 231.72 | J/mol×K | 523.93 | Joback Calculated Property |
| Cp,gas | 241.94 | J/mol×K | 561.13 | Joback Calculated Property |
| Cp,gas | 251.57 | J/mol×K | 598.33 | Joback Calculated Property |
| Cp,gas | 260.63 | J/mol×K | 635.53 | Joback Calculated Property |
| Cp,gas | 269.13 | J/mol×K | 672.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-ethynyl-4-methoxy-.
Sources
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