- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.97; 441.40] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.14300e+00 | |||
| Coefficient B | 7.82460e-01 | |||
| Coefficient C | -4.38200e-04 | |||
| Coefficient D | 9.20000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 187.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 231.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 269.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 304.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 335.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 362.54 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 386.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 407.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 425.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 441.40 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0164704; 0.0002579] | Pa×s | [179.84; 418.55] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.13942e+01 | |||
| Coefficient B | 1.31068e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 179.84 | |||
| Temperature range, max. | 418.55 | |||
| η | 0.0164704 | Pa×s | 179.84 | Calculated Property |
| η | 0.0064550 | Pa×s | 206.36 | Calculated Property |
| η | 0.0031315 | Pa×s | 232.89 | Calculated Property |
| η | 0.0017613 | Pa×s | 259.41 | Calculated Property |
| η | 0.0011023 | Pa×s | 285.93 | Calculated Property |
| η | 0.0007470 | Pa×s | 312.46 | Calculated Property |
| η | 0.0005380 | Pa×s | 338.98 | Calculated Property |
| η | 0.0004064 | Pa×s | 365.50 | Calculated Property |
| η | 0.0003188 | Pa×s | 392.03 | Calculated Property |
| η | 0.0002579 | Pa×s | 418.55 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [328.12; 483.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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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