- InChI
- InChI=1S/C8H12/c1-4-5-6-7-8(2)3/h2,4-5H2,1,3H3
- InChI Key
- UOOFRLPCQNNECP-UHFFFAOYSA-N
- Formula
- C8H12
- SMILES
- C=C(C)C#CCCC
- Molecular Weight1
- 108.18
- CAS
- 17669-40-8
- Other Names
-
- n-C3H7C«equiv»CC(CH3)=CH2
- 1-Hepten-3-yne, 2-methyl-
- 2-Methyl-hept-1-en-3-yne
- 2-Methyl-1-heptene-3-yne
- 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 |
|---|---|---|---|
| ΔfG° | 298.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 179.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.96 | kJ/mol | Joback Calculated Property |
| IE | 8.62 ± 0.01 | eV | NIST |
| log10WS | -2.82 | Crippen Calculated Property | |
| logPoct/wat | 2.366 | Crippen Calculated Property | |
| McVol | 110.680 | ml/mol | McGowan Calculated Property |
| Pc | 3159.72 | kPa | Joback Calculated Property |
| Tboil | 388.00 | K | Joback Calculated Property |
| Tc | 583.37 | K | Joback Calculated Property |
| Tfus | 270.30 | K | Joback Calculated Property |
| Vc | 0.427 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.88; 256.07] | J/mol×K | [388.00; 583.37] | 
|
| Cp,gas | 193.88 | J/mol×K | 388.00 | Joback Calculated Property |
| Cp,gas | 205.47 | J/mol×K | 420.56 | Joback Calculated Property |
| Cp,gas | 216.54 | J/mol×K | 453.12 | Joback Calculated Property |
| Cp,gas | 227.12 | J/mol×K | 485.69 | Joback Calculated Property |
| Cp,gas | 237.22 | J/mol×K | 518.25 | Joback Calculated Property |
| Cp,gas | 246.87 | J/mol×K | 550.81 | Joback Calculated Property |
| Cp,gas | 256.07 | J/mol×K | 583.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-1-hepten-3-yne.
Sources
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