- InChI
- InChI=1S/C10H8/c1-2-3-7-10-8-5-4-6-9-10/h1,3-9H/b7-3+
- InChI Key
- FRSPRPODGOIJPJ-XVNBXDOJSA-N
- Formula
- C10H8
- SMILES
- C#CC=Cc1ccccc1
- Molecular Weight1
- 128.17
- Other Names
-
- 1-Buten-3-yne, 1-phenyl
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.2349 | Relay (1.0) Calculated Property | |
| ΔfG° | 449.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 407.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.333 | Crippen Calculated Property | |
| McVol | 115.100 | ml/mol | McGowan Calculated Property |
| Pc | 3686.49 | kPa | Joback Calculated Property |
| Inp | 190.30 | NIST | |
| Tboil | 471.92 | K | Relay (1.0) Calculated Property |
| Tc | 688.41 | K | Relay (1.0) Calculated Property |
| Tfus | 311.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.398 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.98; 275.18] | J/mol×K | [449.16; 681.13] | 
|
| Cp,gas | 209.98 | J/mol×K | 449.16 | Joback Calculated Property |
| Cp,gas | 223.16 | J/mol×K | 487.82 | Joback Calculated Property |
| Cp,gas | 235.32 | J/mol×K | 526.48 | Joback Calculated Property |
| Cp,gas | 246.53 | J/mol×K | 565.14 | Joback Calculated Property |
| Cp,gas | 256.87 | J/mol×K | 603.81 | Joback Calculated Property |
| Cp,gas | 266.39 | J/mol×K | 642.47 | Joback Calculated Property |
| Cp,gas | 275.18 | J/mol×K | 681.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Phenylbut-3-ene-1-yne.
Sources
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