- InChI
- InChI=1S/C16H14/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16/h3-10H,1-2H3
- InChI Key
- OFDOCXDLDQXWIX-UHFFFAOYSA-N
- Formula
- C16H14
- SMILES
- Cc1ccc(C#Cc2ccc(C)cc2)cc1
- Molecular Weight1
- 206.28
- CAS
- 2789-88-0
- Other Names
-
- 1-Methyl-4-[2-(4-methylphenyl)ethynyl]benzene
- 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 |
|---|---|---|---|
| ΔfG° | 492.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 348.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.24 | kJ/mol | Joback Calculated Property |
| log10WS | -4.84 | Crippen Calculated Property | |
| logPoct/wat | 3.703 | Crippen Calculated Property | |
| McVol | 180.180 | ml/mol | McGowan Calculated Property |
| Pc | 2597.78 | kPa | Joback Calculated Property |
| Tboil | 637.80 | K | Joback Calculated Property |
| Tc | 898.88 | K | Joback Calculated Property |
| Tfus | [408.00; 410.40] | K |
|
| Tfus | 408.00 ± 4.00 | K | NIST |
| Tfus | 408.00 ± 4.00 | K | NIST |
| Tfus | 410.40 ± 1.00 | K | NIST |
| Vc | 0.677 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [430.11; 517.06] | J/mol×K | [637.80; 898.88] |
|
| Cp,gas | 430.11 | J/mol×K | 637.80 | Joback Calculated Property |
| Cp,gas | 447.72 | J/mol×K | 681.31 | Joback Calculated Property |
| Cp,gas | 463.98 | J/mol×K | 724.83 | Joback Calculated Property |
| Cp,gas | 478.96 | J/mol×K | 768.34 | Joback Calculated Property |
| Cp,gas | 492.75 | J/mol×K | 811.85 | Joback Calculated Property |
| Cp,gas | 505.42 | J/mol×K | 855.37 | Joback Calculated Property |
| Cp,gas | 517.06 | J/mol×K | 898.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to di-p-Tolylacetylene.
Sources
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