- InChI
- InChI=1S/C11H22/c1-9(2)7-11(5,6)8-10(3)4/h7,10H,8H2,1-6H3
- InChI Key
- JVBUFRVMYHEXRB-UHFFFAOYSA-N
- Formula
- C11H22
- SMILES
- CC(C)=CC(C)(C)CC(C)C
- Molecular Weight1
- 154.29
- CAS
- 103982-58-7
- Other Names
-
- 2-heptene, 2,4,4,6-tetramethyl-
- 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 | 0.3603 | Relay (1.0) Calculated Property | |
| ΔfG° | 113.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -159.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.025 | Crippen Calculated Property | |
| McVol | 161.550 | ml/mol | McGowan Calculated Property |
| Pc | 2085.03 | kPa | Joback Calculated Property |
| Tboil | 439.46 | K | Relay (1.0) Calculated Property |
| Tc | 612.21 | K | Relay (1.0) Calculated Property |
| Tfus | 178.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.585 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [223.21; 557.98] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.71390e+01 | |||
| Coefficient B | 1.20052e+00 | |||
| Coefficient C | -8.35700e-04 | |||
| Coefficient D | 2.40300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 223.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 283.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 336.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 382.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 422.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 457.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 487.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 513.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 536.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 557.98 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Hept-2-ene, 2,4,4,6-tetramethyl-.
Sources
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