- InChI
- InChI=1S/C8H16/c1-5-7(3)8(4)6-2/h5-6H2,1-4H3/b8-7-
- InChI Key
- XTUXVDJHGIEBAA-FPLPWBNLSA-N
- Formula
- C8H16
- SMILES
- CCC(C)=C(C)CC
- Molecular Weight1
- 112.21
- CAS
- 19550-87-9
- Other Names
-
- (Z)-C2H5C(CH3)=C(CH3)C2H5
- cis-3,4-Dimethyl-3-hexene
- (3Z)-3,4-Dimethyl-3-hexene
- 2-Hexene, 3,4-dimethyl, cis
- (Z)-3,4-Dimethylhex-2-ene
- (Z)-3,4-Dimethylhex-3-ene
- 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° | 79.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -110.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.70 | kJ/mol | NIST |
| IE | 8.17 ± 0.00 | eV | NIST |
| log10WS | -3.02 | Crippen Calculated Property | |
| logPoct/wat | 3.143 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2701.41 | kPa | Joback Calculated Property |
| Inp | [754.50; 795.70] |
|
|
| Inp | 764.80 | NIST | |
| Inp | 795.70 | NIST | |
| Inp | 754.50 | NIST | |
| Inp | 781.80 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 782.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 764.80 | NIST | |
| Inp | 783.00 | NIST | |
| Tboil | 386.36 | K | Joback Calculated Property |
| Tc | 565.14 | K | Joback Calculated Property |
| Tfus | 146.92 | K | Joback Calculated Property |
| Vc | 0.466 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.01; 289.68] | J/mol×K | [386.36; 565.14] |
|
| Cp,gas | 218.01 | J/mol×K | 386.36 | Joback Calculated Property |
| Cp,gas | 231.36 | J/mol×K | 416.16 | Joback Calculated Property |
| Cp,gas | 244.11 | J/mol×K | 445.95 | Joback Calculated Property |
| Cp,gas | 256.30 | J/mol×K | 475.75 | Joback Calculated Property |
| Cp,gas | 267.94 | J/mol×K | 505.55 | Joback Calculated Property |
| Cp,gas | 279.06 | J/mol×K | 535.34 | Joback Calculated Property |
| Cp,gas | 289.68 | J/mol×K | 565.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexene, 3,4-dimethyl-, (Z)-.
Sources
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