- InChI
- InChI=1S/C8H17Cl/c1-7(2)5-4-6-8(3)9/h7-8H,4-6H2,1-3H3
- InChI Key
- YRLZNZREEYCBCG-UHFFFAOYSA-N
- Formula
- C8H17Cl
- SMILES
- CC(C)CCCC(C)Cl
- Molecular Weight1
- 148.67
- CAS
- 2350-19-8
- Other Names
-
- 2-Chloro-6-methylheptane
- ω : Acentric Factor.
- 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).
- 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.
- 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 | 0.3919 | Relay (1.0) Calculated Property | |
| ΔfG° | -0.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -274.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.440 | Crippen Calculated Property | |
| McVol | 135.820 | ml/mol | McGowan Calculated Property |
| Pc | 2482.59 | kPa | Joback Calculated Property |
| Inp | [966.00; 1001.00] |
|
|
| Inp | 966.00 | NIST | |
| Inp | 1001.00 | NIST | |
| Tboil | 436.64 | K | Relay (1.0) Calculated Property |
| Tc | 617.91 | K | Relay (1.0) Calculated Property |
| Tfus | 203.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.508 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [262.92; 336.00] | J/mol×K | [419.19; 597.93] |
|
| Cp,gas | 262.92 | J/mol×K | 419.19 | Joback Calculated Property |
| Cp,gas | 276.44 | J/mol×K | 448.98 | Joback Calculated Property |
| Cp,gas | 289.41 | J/mol×K | 478.77 | Joback Calculated Property |
| Cp,gas | 301.84 | J/mol×K | 508.56 | Joback Calculated Property |
| Cp,gas | 313.73 | J/mol×K | 538.35 | Joback Calculated Property |
| Cp,gas | 325.12 | J/mol×K | 568.14 | Joback Calculated Property |
| Cp,gas | 336.00 | J/mol×K | 597.93 | Joback Calculated Property |
| η | [0.0002567; 0.0164704] | Pa×s | [179.84; 419.19] |
|
| η | 0.0164704 | Pa×s | 179.84 | Joback Calculated Property |
| η | 0.0043861 | Pa×s | 219.73 | Joback Calculated Property |
| η | 0.0017540 | Pa×s | 259.62 | Joback Calculated Property |
| η | 0.0008954 | Pa×s | 299.51 | Joback Calculated Property |
| η | 0.0005354 | Pa×s | 339.41 | Joback Calculated Property |
| η | 0.0003567 | Pa×s | 379.30 | Joback Calculated Property |
| η | 0.0002567 | Pa×s | 419.19 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [328.12; 483.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39315e+01 | |||
| Coefficient B | -3.62925e+03 | |||
| Coefficient C | -6.21220e+01 | |||
| Temperature range, min. | 328.12 | |||
| Temperature range, max. | 483.15 | |||
| Pvap | 1.33 | kPa | 328.12 | Calculated Property |
| Pvap | 3.06 | kPa | 345.35 | Calculated Property |
| Pvap | 6.37 | kPa | 362.57 | Calculated Property |
| Pvap | 12.27 | kPa | 379.80 | Calculated Property |
| Pvap | 22.08 | kPa | 397.02 | Calculated Property |
| Pvap | 37.52 | kPa | 414.25 | Calculated Property |
| Pvap | 60.67 | kPa | 431.47 | Calculated Property |
| Pvap | 94.00 | kPa | 448.70 | Calculated Property |
| Pvap | 140.30 | kPa | 465.92 | Calculated Property |
| Pvap | 202.66 | kPa | 483.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 2-chloro-6-methyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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