- InChI
- InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h4,8H,1,5-7H2,2-3H3
- InChI Key
- DFVOXRAAHOJJBN-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- C=CCCCC(C)C
- Molecular Weight1
- 112.21
- CAS
- 5026-76-6
- Other Names
-
- 6-Methyl-1-heptene
- 6-Methylhept-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).
- 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° | 101.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -88.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.67 | 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 | 2668.02 | kPa | Joback Calculated Property |
| Inp | [742.50; 756.00] |
|
|
| Inp | 754.40 | NIST | |
| Inp | 746.20 | NIST | |
| Inp | Outlier 742.50 | NIST | |
| Inp | 749.40 | NIST | |
| Inp | 749.40 | NIST | |
| Inp | 748.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 753.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 754.00 | NIST | |
| Inp | 754.00 | NIST | |
| Inp | 754.40 | NIST | |
| Inp | 748.00 | NIST | |
| Tboil | [384.65; 402.15] | K |
|
| Tboil | Outlier 402.15 ± 3.00 | K | NIST |
| Tboil | 386.35 ± 0.20 | K | NIST |
| Tboil | 386.34 ± 0.20 | K | NIST |
| Tboil | 386.34 ± 0.40 | K | NIST |
| Tboil | 388.65 ± 2.00 | K | NIST |
| Tboil | 386.34 ± 0.20 | K | NIST |
| Tboil | 386.34 ± 0.20 | K | NIST |
| Tboil | 386.34 ± 0.20 | K | NIST |
| Tboil | 385.80 ± 1.00 | K | NIST |
| Tboil | 384.65 ± 0.60 | K | NIST |
| Tboil | 386.15 ± 2.00 | K | NIST |
| Tboil | 386.60 ± 0.50 | K | NIST |
| Tboil | 384.65 ± 2.00 | K | NIST |
| Tboil | 387.15 ± 3.00 | K | NIST |
| Tc | 549.32 | K | Joback Calculated Property |
| Tfus | 163.16 | K | Joback Calculated Property |
| Vc | 0.459 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.60; 287.50] | J/mol×K | [378.68; 549.32] |
|
| Cp,gas | 217.60 | J/mol×K | 378.68 | Joback Calculated Property |
| Cp,gas | 230.47 | J/mol×K | 407.12 | Joback Calculated Property |
| Cp,gas | 242.84 | J/mol×K | 435.56 | Joback Calculated Property |
| Cp,gas | 254.71 | J/mol×K | 464.00 | Joback Calculated Property |
| Cp,gas | 266.10 | J/mol×K | 492.44 | Joback Calculated Property |
| Cp,gas | 277.03 | J/mol×K | 520.88 | Joback Calculated Property |
| Cp,gas | 287.50 | J/mol×K | 549.32 | Joback Calculated Property |
| η | [0.0002308; 0.0085772] | Pa×s | [163.16; 378.68] |
|
| η | 0.0085772 | Pa×s | 163.16 | Joback Calculated Property |
| η | 0.0027265 | Pa×s | 199.08 | Joback Calculated Property |
| η | 0.0012304 | Pa×s | 235.00 | Joback Calculated Property |
| η | 0.0006856 | Pa×s | 270.92 | Joback Calculated Property |
| η | 0.0004381 | Pa×s | 306.84 | Joback Calculated Property |
| η | 0.0003075 | Pa×s | 342.76 | Joback Calculated Property |
| η | 0.0002308 | Pa×s | 378.68 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [281.83; 412.07] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42264e+01 | |||
| Coefficient B | -3.22125e+03 | |||
| Coefficient C | -5.07340e+01 | |||
| Temperature range, min. | 281.83 | |||
| Temperature range, max. | 412.07 | |||
| Pvap | 1.33 | kPa | 281.83 | Calculated Property |
| Pvap | 3.03 | kPa | 296.30 | Calculated Property |
| Pvap | 6.29 | kPa | 310.77 | Calculated Property |
| Pvap | 12.08 | kPa | 325.24 | Calculated Property |
| Pvap | 21.75 | kPa | 339.71 | Calculated Property |
| Pvap | 37.00 | kPa | 354.19 | Calculated Property |
| Pvap | 59.99 | kPa | 368.66 | Calculated Property |
| Pvap | 93.25 | kPa | 383.13 | Calculated Property |
| Pvap | 139.72 | kPa | 397.60 | Calculated Property |
| Pvap | 202.66 | kPa | 412.07 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Heptene, 6-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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