- InChI
- InChI=1S/C7H10/c1-4-5-6-7(2)3/h1,5-7H,2-3H3/b6-5+
- InChI Key
- YPAAIRQADKROCE-AATRIKPKSA-N
- Formula
- C7H10
- SMILES
- C#CC=CC(C)C
- Molecular Weight1
- 94.15
- CAS
- 80033-69-8
- 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 | 0.1930 | Relay (... Calculated Property | |
| ΔfG° | 308.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 195.36 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 13.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.22 | kJ/mol | Relay (... Calculated Property |
| IE | 9.16 | eV | Relay (... Calculated Property |
| log10WS | -2.46 | Relay (... Calculated Property | |
| logPoct/wat | 1.832 | Crippen Calculated Property | |
| McVol | 96.590 | ml/mol | McGowan Calculated Property |
| Pc | 3534.66 | kPa | Joback Calculated Property |
| Tboil | 349.43 | K | Relay (... Calculated Property |
| Tc | 526.22 | K | Relay (... Calculated Property |
| Tfus | 233.58 | K | Relay (... Calculated Property |
| Vc | 0.333 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [157.90; 212.98] | J/mol×K | [353.40; 543.00] | 
|
| Cp,gas | 157.90 | J/mol×K | 353.40 | Joback Calculated Property |
| Cp,gas | 168.40 | J/mol×K | 385.00 | Joback Calculated Property |
| Cp,gas | 178.33 | J/mol×K | 416.60 | Joback Calculated Property |
| Cp,gas | 187.73 | J/mol×K | 448.20 | Joback Calculated Property |
| Cp,gas | 196.62 | J/mol×K | 479.80 | Joback Calculated Property |
| Cp,gas | 205.03 | J/mol×K | 511.40 | Joback Calculated Property |
| Cp,gas | 212.98 | J/mol×K | 543.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-5-Methyl-3-hexen-1-yne.
Sources
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