- InChI
- InChI=1S/C7H14/c1-4-6-7(3)5-2/h5H,4,6H2,1-3H3/b7-5-
- InChI Key
- JZMUUSXQSKCZNO-ALCCZGGFSA-N
- Formula
- C7H14
- SMILES
- CC=C(C)CCC
- Molecular Weight1
- 98.19
- CAS
- 10574-36-4
- Other Names
-
- (2Z)-3-Methyl-2-hexene
- (Z)-2-Hexene, 3-methyl
- (Z)-3-METHYL-2-HEXENE
- 3-METHYL-CIS-2-HEXENE
- CIS-3-METHYL-2-HEXENE
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ω | 0.2653 | Relay (... Calculated Property | |
| ΔfG° | 79.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -100.47 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 12.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.60 | kJ/mol | NIST |
| IE | 8.50 | eV | Relay (... Calculated Property |
| log10WS | -3.72 | Relay (... Calculated Property | |
| logPoct/wat | 2.753 | Crippen Calculated Property | |
| McVol | 105.190 | ml/mol | McGowan Calculated Property |
| Pc | 2976.29 | kPa | Joback Calculated Property |
| Inp | [654.00; 717.00] |
|
|
| Inp | 701.40 | NIST | |
| Inp | 692.00 | NIST | |
| Inp | 701.00 | NIST | |
| Inp | 701.70 | NIST | |
| Inp | 693.80 | NIST | |
| Inp | 694.40 | NIST | |
| Inp | 702.00 | NIST | |
| Inp | 702.00 | NIST | |
| Inp | 693.00 | NIST | |
| Inp | 694.10 | NIST | |
| Inp | 695.30 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 717.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 693.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 688.00 | NIST | |
| Inp | 701.00 | NIST | |
| Inp | 701.00 | NIST | |
| Inp | 701.00 | NIST | |
| Inp | 702.00 | NIST | |
| Inp | 701.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 702.50 | NIST | |
| Inp | 702.40 | NIST | |
| Inp | 692.60 | NIST | |
| Inp | Outlier 654.00 | NIST | |
| Inp | 693.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 702.00 | NIST | |
| Inp | Outlier 654.00 | NIST | |
| Inp | 693.00 | NIST | |
| Inp | 702.50 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 701.40 | NIST | |
| Inp | 694.40 | NIST | |
| Inp | 695.30 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 701.00 | NIST | |
| I | [745.00; 757.00] |
|
|
| I | 757.00 | NIST | |
| I | 745.00 | NIST | |
| Tboil | [370.41; 370.50] | K |
|
| Tboil | 370.50 | K | NIST |
| Tboil | 370.41 ± 0.20 | K | NIST |
| Tboil | 370.43 ± 0.20 | K | NIST |
| Tboil | 370.43 ± 0.20 | K | NIST |
| Tc | 530.50 | K | Relay (... Calculated Property |
| Tfus | 153.85 | K | Relay (... Calculated Property |
| Vc | 0.390 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.34; 244.29] | J/mol×K | [363.60; 539.41] |
|
| Cp,gas | 180.34 | J/mol×K | 363.60 | Joback Calculated Property |
| Cp,gas | 192.22 | J/mol×K | 392.90 | Joback Calculated Property |
| Cp,gas | 203.59 | J/mol×K | 422.20 | Joback Calculated Property |
| Cp,gas | 214.47 | J/mol×K | 451.50 | Joback Calculated Property |
| Cp,gas | 224.86 | J/mol×K | 480.80 | Joback Calculated Property |
| Cp,gas | 234.79 | J/mol×K | 510.11 | Joback Calculated Property |
| Cp,gas | 244.29 | J/mol×K | 539.41 | Joback Calculated Property |
| ΔvapH | 34.20 | kJ/mol | 359.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [269.10; 395.90] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40937e+01 | |||
| Coefficient B | -3.06038e+03 | |||
| Coefficient C | -4.74290e+01 | |||
| Temperature range, min. | 269.10 | |||
| Temperature range, max. | 395.90 | |||
| Pvap | 1.33 | kPa | 269.10 | Calculated Property |
| Pvap | 3.04 | kPa | 283.19 | Calculated Property |
| Pvap | 6.33 | kPa | 297.28 | Calculated Property |
| Pvap | 12.17 | kPa | 311.37 | Calculated Property |
| Pvap | 21.89 | kPa | 325.46 | Calculated Property |
| Pvap | 37.23 | kPa | 339.54 | Calculated Property |
| Pvap | 60.29 | kPa | 353.63 | Calculated Property |
| Pvap | 93.58 | kPa | 367.72 | Calculated Property |
| Pvap | 139.97 | kPa | 381.81 | Calculated Property |
| Pvap | 202.64 | kPa | 395.90 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexene, 3-methyl-, (Z)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
property mean.