- InChI
- InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h6-8H,4-5H2,1-3H3/b7-6+
- InChI Key
- CYEZJYAMLNTSKN-VOTSOKGWSA-N
- Formula
- C8H16
- SMILES
- CCCC=CC(C)C
- Molecular Weight1
- 112.21
- CAS
- 692-96-6
- Other Names
-
- (E)-2-METHYL-3-HEPTENE
- (E)-2-Methylhept-3-ene
- 2-METHYL-TRANS-3-HEPTENE
- TRANS-2-METHYL-3-HEPTENE
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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.
- 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° | 94.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -96.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.90 | kJ/mol | NIST |
| log10WS | -2.78 | Crippen Calculated Property | |
| logPoct/wat | 2.999 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2695.80 | kPa | Joback Calculated Property |
| Inp | [741.00; 757.00] |
|
|
| Inp | 754.80 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 750.70 | NIST | |
| Inp | 751.10 | NIST | |
| Inp | 741.10 | NIST | |
| Inp | 751.40 | NIST | |
| Inp | 741.10 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 746.00 | NIST | |
| Inp | 742.50 | NIST | |
| Inp | 749.40 | NIST | |
| Inp | 749.40 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 757.00 | NIST | |
| Tboil | 387.13 ± 0.30 | K | NIST |
| Tc | 562.05 | K | Joback Calculated Property |
| Tfus | [165.59; 165.63] | K |
|
| Tfus | 165.59 ± 0.04 | K | NIST |
| Tfus | 165.59 ± 0.03 | K | NIST |
| Tfus | 165.63 ± 0.02 | K | NIST |
| Vc | 0.458 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.94; 289.43] | J/mol×K | [386.16; 562.05] |
|
| Cp,gas | 217.94 | J/mol×K | 386.16 | Joback Calculated Property |
| Cp,gas | 231.23 | J/mol×K | 415.47 | Joback Calculated Property |
| Cp,gas | 243.94 | J/mol×K | 444.79 | Joback Calculated Property |
| Cp,gas | 256.10 | J/mol×K | 474.10 | Joback Calculated Property |
| Cp,gas | 267.72 | J/mol×K | 503.42 | Joback Calculated Property |
| Cp,gas | 278.83 | J/mol×K | 532.73 | Joback Calculated Property |
| Cp,gas | 289.43 | J/mol×K | 562.05 | Joback Calculated Property |
| η | [0.0001950; 0.0101457] | Pa×s | [159.84; 386.16] |
|
| η | 0.0101457 | Pa×s | 159.84 | Joback Calculated Property |
| η | 0.0028001 | Pa×s | 197.56 | Joback Calculated Property |
| η | 0.0011677 | Pa×s | 235.28 | Joback Calculated Property |
| η | 0.0006201 | Pa×s | 273.00 | Joback Calculated Property |
| η | 0.0003840 | Pa×s | 310.72 | Joback Calculated Property |
| η | 0.0002638 | Pa×s | 348.44 | Joback Calculated Property |
| η | 0.0001950 | Pa×s | 386.16 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [281.44; 413.94] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38974e+01 | |||
| Coefficient B | -3.08184e+03 | |||
| Coefficient C | -5.50000e+01 | |||
| Temperature range, min. | 281.44 | |||
| Temperature range, max. | 413.94 | |||
| Pvap | 1.33 | kPa | 281.44 | Calculated Property |
| Pvap | 3.06 | kPa | 296.16 | Calculated Property |
| Pvap | 6.38 | kPa | 310.88 | Calculated Property |
| Pvap | 12.29 | kPa | 325.61 | Calculated Property |
| Pvap | 22.12 | kPa | 340.33 | Calculated Property |
| Pvap | 37.57 | kPa | 355.05 | Calculated Property |
| Pvap | 60.74 | kPa | 369.77 | Calculated Property |
| Pvap | 94.08 | kPa | 384.50 | Calculated Property |
| Pvap | 140.36 | kPa | 399.22 | Calculated Property |
| Pvap | 202.63 | kPa | 413.94 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Heptene, 2-methyl-, (E)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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