- InChI
- InChI=1S/C8H17Cl/c1-4-5-6-7-8(2,3)9/h4-7H2,1-3H3
- InChI Key
- VZYCLOQPZDXYHA-UHFFFAOYSA-N
- Formula
- C8H17Cl
- SMILES
- CCCCCC(C)(C)Cl
- Molecular Weight1
- 148.67
- CAS
- 4325-49-9
- Other Names
-
- Heptane, 2-chloro-2-methyl-
- 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).
- 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 | 0.3723 | Relay (1.0) Calculated Property | |
| ΔfG° | 7.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -254.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.584 | Crippen Calculated Property | |
| McVol | 135.820 | ml/mol | McGowan Calculated Property |
| Pc | 2490.03 | kPa | Joback Calculated Property |
| Inp | [949.00; 949.00] |
|
|
| Inp | 949.00 | NIST | |
| Inp | 949.00 | NIST | |
| Tboil | 419.86 | K | Relay (1.0) Calculated Property |
| Tc | 618.81 | K | Relay (1.0) Calculated Property |
| Tfus | 202.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.510 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.14; 441.79] | 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 | -1.59660e+01 | |||
| Coefficient B | 8.96460e-01 | |||
| Coefficient C | -6.03600e-04 | |||
| Coefficient D | 1.64900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 187.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 273.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 308.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 338.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 365.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 388.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 408.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 426.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 441.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0090186; 0.0002917] | Pa×s | [212.26; 419.16] |
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 | -1.16602e+01 | |||
| Coefficient B | 1.47558e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 212.26 | |||
| Temperature range, max. | 419.16 | |||
| η | 0.0090186 | Pa×s | 212.26 | Calculated Property |
| η | 0.0045720 | Pa×s | 235.25 | Calculated Property |
| η | 0.0026157 | Pa×s | 258.24 | Calculated Property |
| η | 0.0016396 | Pa×s | 281.23 | Calculated Property |
| η | 0.0011029 | Pa×s | 304.22 | Calculated Property |
| η | 0.0007844 | Pa×s | 327.21 | Calculated Property |
| η | 0.0005834 | Pa×s | 350.20 | Calculated Property |
| η | 0.0004500 | Pa×s | 373.19 | Calculated Property |
| η | 0.0003578 | Pa×s | 396.17 | Calculated Property |
| η | 0.0002917 | Pa×s | 419.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloro-2-methylheptane.
Sources
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