- InChI
- InChI=1S/C7H15Cl/c1-3-5-7(8)6-4-2/h7H,3-6H2,1-2H3
- InChI Key
- MGSGWAXIEMEWCQ-UHFFFAOYSA-N
- Formula
- C7H15Cl
- SMILES
- CCCC(Cl)CCC
- Molecular Weight1
- 134.65
- CAS
- 998-95-8
- Other Names
-
- 4-Chloroheptane
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3609 | Relay (1.0) Calculated Property | |
| ΔfG° | -6.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -210.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.194 | Crippen Calculated Property | |
| McVol | 121.730 | ml/mol | McGowan Calculated Property |
| Pc | 2715.50 | kPa | Joback Calculated Property |
| Inp | [900.00; 959.00] |
|
|
| Inp | 949.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 949.00 | NIST | |
| I | [1044.00; 1058.00] |
|
|
| I | 1044.00 | NIST | |
| I | 1058.00 | NIST | |
| I | 1052.00 | NIST | |
| I | 1054.00 | NIST | |
| I | 1044.00 | NIST | |
| Tboil | 412.86 | K | Relay (1.0) Calculated Property |
| Tc | 595.55 | K | Relay (1.0) Calculated Property |
| Tfus | 182.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.455 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 322.10 | K | 2.80 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.07; 389.27] | 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 | 7.73400e+00 | |||
| Coefficient B | 6.81540e-01 | |||
| Coefficient C | -3.80600e-04 | |||
| Coefficient D | 8.06000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 167.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 204.78 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 238.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 268.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 295.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 319.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 340.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 359.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 375.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 389.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0087444; 0.0002695] | Pa×s | [183.57; 400.73] |
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 | -1.11603e+01 | |||
| Coefficient B | 1.17870e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 183.57 | |||
| Temperature range, max. | 400.73 | |||
| η | 0.0087444 | Pa×s | 183.57 | Calculated Property |
| η | 0.0041473 | Pa×s | 207.70 | Calculated Property |
| η | 0.0022974 | Pa×s | 231.83 | Calculated Property |
| η | 0.0014226 | Pa×s | 255.96 | Calculated Property |
| η | 0.0009567 | Pa×s | 280.09 | Calculated Property |
| η | 0.0006852 | Pa×s | 304.22 | Calculated Property |
| η | 0.0005154 | Pa×s | 328.35 | Calculated Property |
| η | 0.0004031 | Pa×s | 352.47 | Calculated Property |
| η | 0.0003254 | Pa×s | 376.60 | Calculated Property |
| η | 0.0002695 | Pa×s | 400.73 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [314.72; 452.79] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.46848e+01 | |||
| Coefficient B | -3.70876e+03 | |||
| Coefficient C | -5.71180e+01 | |||
| Temperature range, min. | 314.72 | |||
| Temperature range, max. | 452.79 | |||
| Pvap | 1.33 | kPa | 314.72 | Calculated Property |
| Pvap | 2.99 | kPa | 330.06 | Calculated Property |
| Pvap | 6.17 | kPa | 345.40 | Calculated Property |
| Pvap | 11.82 | kPa | 360.74 | Calculated Property |
| Pvap | 21.27 | kPa | 376.08 | Calculated Property |
| Pvap | 36.27 | kPa | 391.43 | Calculated Property |
| Pvap | 59.01 | kPa | 406.77 | Calculated Property |
| Pvap | 92.16 | kPa | 422.11 | Calculated Property |
| Pvap | 138.85 | kPa | 437.45 | Calculated Property |
| Pvap | 202.66 | kPa | 452.79 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 4-chloro-.
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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