- InChI
- InChI=1S/C7H12Cl4/c8-6-4-2-1-3-5-7(9,10)11/h1-6H2
- InChI Key
- HIZWVJSDYNNBMS-UHFFFAOYSA-N
- Formula
- C7H12Cl4
- SMILES
- ClCCCCCCC(Cl)(Cl)Cl
- Molecular Weight1
- 237.98
- CAS
- 3922-36-9
- Other Names
-
- 1,1,1,7-Tetrachloroheptane
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| ΔfG° | -36.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -259.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.42 | kJ/mol | Joback Calculated Property |
| log10WS | -4.47 | Crippen Calculated Property | |
| logPoct/wat | 4.546 | Crippen Calculated Property | |
| McVol | 158.450 | ml/mol | McGowan Calculated Property |
| Pc | 2453.17 | kPa | Joback Calculated Property |
| Tboil | 506.05 | K | Joback Calculated Property |
| Tc | 708.60 | K | Joback Calculated Property |
| Tfus | 290.75 | K | Joback Calculated Property |
| Vc | 0.613 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [306.50; 363.50] | J/mol×K | [506.05; 708.60] | 
|
| Cp,gas | 306.50 | J/mol×K | 506.05 | Joback Calculated Property |
| Cp,gas | 317.68 | J/mol×K | 539.81 | Joback Calculated Property |
| Cp,gas | 328.13 | J/mol×K | 573.57 | Joback Calculated Property |
| Cp,gas | 337.90 | J/mol×K | 607.33 | Joback Calculated Property |
| Cp,gas | 347.02 | J/mol×K | 641.09 | Joback Calculated Property |
| Cp,gas | 355.54 | J/mol×K | 674.85 | Joback Calculated Property |
| Cp,gas | 363.50 | J/mol×K | 708.60 | Joback Calculated Property |
| η | [0.0002953; 0.0047299] | Pa×s | [290.75; 506.05] |
|
| η | 0.0047299 | Pa×s | 290.75 | Joback Calculated Property |
| η | 0.0023111 | Pa×s | 326.63 | Joback Calculated Property |
| η | 0.0013013 | Pa×s | 362.52 | Joback Calculated Property |
| η | 0.0008126 | Pa×s | 398.40 | Joback Calculated Property |
| η | 0.0005485 | Pa×s | 434.28 | Joback Calculated Property |
| η | 0.0003931 | Pa×s | 470.17 | Joback Calculated Property |
| η | 0.0002953 | Pa×s | 506.05 | Joback Calculated Property |
| ΔvapH | [69.90; 71.70] | kJ/mol | [398.50; 412.00] |
|
| ΔvapH | 71.70 | kJ/mol | 398.50 | NIST |
| ΔvapH | 69.90 | kJ/mol | 412.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [394.37; 579.12] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.18161e+01 | |||
| Coefficient B | -2.75764e+03 | |||
| Coefficient C | -1.55163e+02 | |||
| Temperature range, min. | 394.37 | |||
| Temperature range, max. | 579.12 | |||
| Pvap | 1.33 | kPa | 394.37 | Calculated Property |
| Pvap | 3.32 | kPa | 414.90 | Calculated Property |
| Pvap | 7.22 | kPa | 435.43 | Calculated Property |
| Pvap | 14.13 | kPa | 455.95 | Calculated Property |
| Pvap | 25.38 | kPa | 476.48 | Calculated Property |
| Pvap | 42.49 | kPa | 497.01 | Calculated Property |
| Pvap | 67.10 | kPa | 517.54 | Calculated Property |
| Pvap | 100.90 | kPa | 538.06 | Calculated Property |
| Pvap | 145.56 | kPa | 558.59 | Calculated Property |
| Pvap | 202.66 | kPa | 579.12 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 1,1,1,7-tetrachloro-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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