- InChI
- InChI=1S/C7H10/c1-4-5-6-7(2)3/h2,4H2,1,3H3
- InChI Key
- IXPWKHNDQICVPZ-UHFFFAOYSA-N
- Formula
- C7H10
- SMILES
- C=C(C)C#CCC
- Molecular Weight1
- 94.15
- CAS
- 23056-94-2
- Other Names
-
- 2-Methyl-1-hexen-3-yne
- C2H5C«equiv»CC(CH3)=CH2
- C2H5C«equiv»CC(CH3)=CH2
- 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).
- Pvap : Vapor 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° | 290.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 200.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.74 | kJ/mol | Joback Calculated Property |
| IE | 8.66 ± 0.01 | eV | NIST |
| log10WS | -2.40 | Crippen Calculated Property | |
| logPoct/wat | 1.976 | Crippen Calculated Property | |
| McVol | 96.590 | ml/mol | McGowan Calculated Property |
| Pc | 3530.46 | kPa | Joback Calculated Property |
| Tboil | 377.60 | K | NIST |
| Tc | 561.71 | K | Joback Calculated Property |
| Tfus | 259.03 | K | Joback Calculated Property |
| Vc | 0.371 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [158.33; 212.60] | J/mol×K | [365.12; 561.71] | 
|
| Cp,gas | 158.33 | J/mol×K | 365.12 | Joback Calculated Property |
| Cp,gas | 168.43 | J/mol×K | 397.88 | Joback Calculated Property |
| Cp,gas | 178.09 | J/mol×K | 430.65 | Joback Calculated Property |
| Cp,gas | 187.32 | J/mol×K | 463.41 | Joback Calculated Property |
| Cp,gas | 196.14 | J/mol×K | 496.18 | Joback Calculated Property |
| Cp,gas | 204.56 | J/mol×K | 528.94 | Joback Calculated Property |
| Cp,gas | 212.60 | J/mol×K | 561.71 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [291.72; 397.34] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.68343e+01 | |||
| Coefficient B | -4.00840e+03 | |||
| Coefficient C | -4.94730e+01 | |||
| Temperature range, min. | 291.72 | |||
| Temperature range, max. | 397.34 | |||
| Pvap | 1.33 | kPa | 291.72 | Calculated Property |
| Pvap | 2.86 | kPa | 303.46 | Calculated Property |
| Pvap | 5.75 | kPa | 315.19 | Calculated Property |
| Pvap | 10.88 | kPa | 326.93 | Calculated Property |
| Pvap | 19.56 | kPa | 338.66 | Calculated Property |
| Pvap | 33.58 | kPa | 350.40 | Calculated Property |
| Pvap | 55.37 | kPa | 362.13 | Calculated Property |
| Pvap | 88.04 | kPa | 373.87 | Calculated Property |
| Pvap | 135.54 | kPa | 385.60 | Calculated Property |
| Pvap | 202.66 | kPa | 397.34 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexen-3-yne, 2-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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