- InChI
- InChI=1S/C8H10/c1-7(2)5-6-8(3)4/h1,3H2,2,4H3
- InChI Key
- QZXJPGFNLZJNAR-UHFFFAOYSA-N
- Formula
- C8H10
- SMILES
- C=C(C)C#CC(=C)C
- Molecular Weight1
- 106.17
- CAS
- 3725-05-1
- Other Names
-
- Hexa-1,5-diene-3-yne, 2,5-dimethyl-
- 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 |
|---|---|---|---|
| ΔfG° | 377.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 295.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.37 | kJ/mol | Joback Calculated Property |
| IE | 9.00 ± 0.10 | eV | NIST |
| log10WS | -2.67 | Crippen Calculated Property | |
| logPoct/wat | 2.142 | Crippen Calculated Property | |
| McVol | 106.380 | ml/mol | McGowan Calculated Property |
| Pc | 3333.53 | kPa | Joback Calculated Property |
| Inp | [800.00; 800.00] |
|
|
| Inp | 800.00 | NIST | |
| Inp | 800.00 | NIST | |
| Tboil | 384.56 | K | Joback Calculated Property |
| Tc | 588.60 | K | Joback Calculated Property |
| Tfus | 254.58 | K | Joback Calculated Property |
| Vc | 0.409 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [179.58; 238.18] | J/mol×K | [384.56; 588.60] |
|
| Cp,gas | 179.58 | J/mol×K | 384.56 | Joback Calculated Property |
| Cp,gas | 190.67 | J/mol×K | 418.57 | Joback Calculated Property |
| Cp,gas | 201.20 | J/mol×K | 452.57 | Joback Calculated Property |
| Cp,gas | 211.19 | J/mol×K | 486.58 | Joback Calculated Property |
| Cp,gas | 220.66 | J/mol×K | 520.59 | Joback Calculated Property |
| Cp,gas | 229.65 | J/mol×K | 554.59 | Joback Calculated Property |
| Cp,gas | 238.18 | J/mol×K | 588.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Hexadien-3-yne, 2,5-dimethyl-.
Sources
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