- 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
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -6.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -208.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.17 | kJ/mol | Joback Calculated Property |
| log10WS | -3.02 | Crippen 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 | 396.55 | K | Joback Calculated Property |
| Tc | 572.19 | K | Joback Calculated Property |
| Tfus | 183.57 | K | Joback Calculated Property |
| Vc | 0.470 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [223.17; 288.19] | J/mol×K | [396.55; 572.19] |
|
| Cp,gas | 223.17 | J/mol×K | 396.55 | Joback Calculated Property |
| Cp,gas | 235.16 | J/mol×K | 425.82 | Joback Calculated Property |
| Cp,gas | 246.67 | J/mol×K | 455.10 | Joback Calculated Property |
| Cp,gas | 257.72 | J/mol×K | 484.37 | Joback Calculated Property |
| Cp,gas | 268.31 | J/mol×K | 513.64 | Joback Calculated Property |
| Cp,gas | 278.47 | J/mol×K | 542.91 | Joback Calculated Property |
| Cp,gas | 288.19 | J/mol×K | 572.19 | Joback Calculated Property |
| η | [0.0002780; 0.0087444] | Pa×s | [183.57; 396.55] |
|
| η | 0.0087444 | Pa×s | 183.57 | Joback Calculated Property |
| η | 0.0030894 | Pa×s | 219.07 | Joback Calculated Property |
| η | 0.0014589 | Pa×s | 254.56 | Joback Calculated Property |
| η | 0.0008278 | Pa×s | 290.06 | Joback Calculated Property |
| η | 0.0005315 | Pa×s | 325.56 | Joback Calculated Property |
| η | 0.0003723 | Pa×s | 361.05 | Joback Calculated Property |
| η | 0.0002780 | Pa×s | 396.55 | Joback 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 |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [314.72; 452.79] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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