- InChI
- InChI=1S/C7H14/c1-4-6-7(3)5-2/h5,7H,2,4,6H2,1,3H3
- InChI Key
- RITONZMLZWYPHW-UHFFFAOYSA-N
- Formula
- C7H14
- SMILES
- C=CC(C)CCC
- Molecular Weight1
- 98.19
- CAS
- 3404-61-3
- Other Names
-
- 3-Methyl-1-hexene
- 3-methylhex-1-ene
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | 93.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -67.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.30 | kJ/mol | NIST |
| log10WS | -2.36 | Crippen Calculated Property | |
| logPoct/wat | 2.609 | Crippen Calculated Property | |
| McVol | 105.190 | ml/mol | McGowan Calculated Property |
| Pc | 2953.69 | kPa | Joback Calculated Property |
| Inp | [643.00; 695.00] |
|
|
| Inp | 650.20 | NIST | |
| Inp | 643.10 | NIST | |
| Inp | 644.00 | NIST | |
| Inp | 653.40 | NIST | |
| Inp | 654.70 | NIST | |
| Inp | 644.80 | NIST | |
| Inp | 646.20 | NIST | |
| Inp | Outlier 685.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 645.50 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 646.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 643.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 647.00 | NIST | |
| Inp | 648.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 652.60 | NIST | |
| Inp | 643.00 | NIST | |
| Inp | 649.00 | NIST | |
| Inp | 643.90 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | Outlier 689.00 | NIST | |
| Inp | 646.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 647.00 | NIST | |
| Inp | 647.00 | NIST | |
| Inp | Outlier 695.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 650.20 | NIST | |
| Inp | 644.80 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 643.00 | NIST | |
| Tboil | [357.02; 360.00] | K |
|
| Tboil | Outlier 360.00 ± 3.00 | K | NIST |
| Tboil | 357.02 ± 0.20 | K | NIST |
| Tboil | 357.09 ± 0.20 | K | NIST |
| Tboil | 357.19 ± 0.20 | K | NIST |
| Tboil | 357.15 ± 0.50 | K | NIST |
| Tboil | 357.05 ± 1.00 | K | NIST |
| Tboil | 357.20 ± 1.00 | K | NIST |
| Tc | 526.72 | K | Joback Calculated Property |
| Tfus | 151.89 | K | Joback Calculated Property |
| Vc | 0.403 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.32; 243.44] | J/mol×K | [355.80; 526.72] |
|
| Cp,gas | 180.32 | J/mol×K | 355.80 | Joback Calculated Property |
| Cp,gas | 191.94 | J/mol×K | 384.29 | Joback Calculated Property |
| Cp,gas | 203.10 | J/mol×K | 412.77 | Joback Calculated Property |
| Cp,gas | 213.82 | J/mol×K | 441.26 | Joback Calculated Property |
| Cp,gas | 224.10 | J/mol×K | 469.74 | Joback Calculated Property |
| Cp,gas | 233.97 | J/mol×K | 498.23 | Joback Calculated Property |
| Cp,gas | 243.44 | J/mol×K | 526.72 | Joback Calculated Property |
| η | [0.0002256; 0.0078928] | Pa×s | [151.89; 355.80] |
|
| η | 0.0078928 | Pa×s | 151.89 | Joback Calculated Property |
| η | 0.0025390 | Pa×s | 185.88 | Joback Calculated Property |
| η | 0.0011597 | Pa×s | 219.86 | Joback Calculated Property |
| η | 0.0006534 | Pa×s | 253.84 | Joback Calculated Property |
| η | 0.0004215 | Pa×s | 287.83 | Joback Calculated Property |
| η | 0.0002983 | Pa×s | 321.82 | Joback Calculated Property |
| η | 0.0002256 | Pa×s | 355.80 | Joback Calculated Property |
| ΔvapH | 33.40 | kJ/mol | 346.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [258.80; 381.64] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42249e+01 | |||
| Coefficient B | -3.03743e+03 | |||
| Coefficient C | -4.08660e+01 | |||
| Temperature range, min. | 258.80 | |||
| Temperature range, max. | 381.64 | |||
| Pvap | 1.33 | kPa | 258.80 | Calculated Property |
| Pvap | 3.03 | kPa | 272.45 | Calculated Property |
| Pvap | 6.29 | kPa | 286.10 | Calculated Property |
| Pvap | 12.08 | kPa | 299.75 | Calculated Property |
| Pvap | 21.75 | kPa | 313.40 | Calculated Property |
| Pvap | 37.01 | kPa | 327.04 | Calculated Property |
| Pvap | 60.00 | kPa | 340.69 | Calculated Property |
| Pvap | 93.26 | kPa | 354.34 | Calculated Property |
| Pvap | 139.72 | kPa | 367.99 | Calculated Property |
| Pvap | 202.66 | kPa | 381.64 | Calculated Property |
| Pvap | [3.24e-07; 2949.32] | kPa | [145.00; 528.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.62892e+01 | |||
| Coefficient B | -6.92318e+03 | |||
| Coefficient C | -1.07840e+01 | |||
| Coefficient D | 8.67407e-06 | |||
| Temperature range, min. | 145.00 | |||
| Temperature range, max. | 528.00 | |||
| Pvap | 3.24e-07 | kPa | 145.00 | Calculated Property |
| Pvap | 1.16e-03 | kPa | 187.56 | Calculated Property |
| Pvap | 0.14 | kPa | 230.11 | Calculated Property |
| Pvap | 2.90 | kPa | 272.67 | Calculated Property |
| Pvap | 23.22 | kPa | 315.22 | Calculated Property |
| Pvap | 103.54 | kPa | 357.78 | Calculated Property |
| Pvap | 318.89 | kPa | 400.33 | Calculated Property |
| Pvap | 771.52 | kPa | 442.89 | Calculated Property |
| Pvap | 1590.79 | kPa | 485.44 | Calculated Property |
| Pvap | 2949.32 | kPa | 528.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexene, 3-methyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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