- InChI
- InChI=1S/C7H14Cl2/c8-6-4-2-1-3-5-7-9/h1-7H2
- InChI Key
- PSEMXLIZFGUOGC-UHFFFAOYSA-N
- Formula
- C7H14Cl2
- SMILES
- ClCCCCCCCCl
- Molecular Weight1
- 169.09
- CAS
- 821-76-1
- Other Names
-
- 1,7-Dichloro-n-heptane
- Heptane, 1,7-dichloro-
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 | 0.5048 | Relay (1.0) Calculated Property | |
| ΔfG° | -15.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -238.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.20 | kJ/mol | NIST |
| IE | 10.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.415 | Crippen Calculated Property | |
| McVol | 133.970 | ml/mol | McGowan Calculated Property |
| Pc | 2592.49 | kPa | Joback Calculated Property |
| Tboil | 477.95 | K | Relay (1.0) Calculated Property |
| Tc | 683.47 | K | Relay (1.0) Calculated Property |
| Tfus | 262.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.513 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 52.30 | kJ/mol | 448.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 397.70 | K | 4.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.79; 397.01] | 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 | 2.23070e+01 | |||
| Coefficient B | 6.82400e-01 | |||
| Coefficient C | -3.97800e-04 | |||
| Coefficient D | 9.01000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 180.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 217.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 251.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 280.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 306.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 329.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 350.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 367.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 383.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 397.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0047500; 0.0003233] | Pa×s | [228.49; 429.45] |
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 | -1.10925e+01 | |||
| Coefficient B | 1.31220e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 228.49 | |||
| Temperature range, max. | 429.45 | |||
| η | 0.0047500 | Pa×s | 228.49 | Calculated Property |
| η | 0.0028488 | Pa×s | 250.82 | Calculated Property |
| η | 0.0018575 | Pa×s | 273.15 | Calculated Property |
| η | 0.0012920 | Pa×s | 295.48 | Calculated Property |
| η | 0.0009457 | Pa×s | 317.80 | Calculated Property |
| η | 0.0007212 | Pa×s | 340.13 | Calculated Property |
| η | 0.0005686 | Pa×s | 362.46 | Calculated Property |
| η | 0.0004609 | Pa×s | 384.79 | Calculated Property |
| η | 0.0003823 | Pa×s | 407.12 | Calculated Property |
| η | 0.0003233 | Pa×s | 429.45 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [352.92; 501.21] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48712e+01 | |||
| Coefficient B | -4.11519e+03 | |||
| Coefficient C | -7.07400e+01 | |||
| Temperature range, min. | 352.92 | |||
| Temperature range, max. | 501.21 | |||
| Pvap | 1.33 | kPa | 352.92 | Calculated Property |
| Pvap | 2.98 | kPa | 369.40 | Calculated Property |
| Pvap | 6.13 | kPa | 385.87 | Calculated Property |
| Pvap | 11.72 | kPa | 402.35 | Calculated Property |
| Pvap | 21.09 | kPa | 418.83 | Calculated Property |
| Pvap | 35.99 | kPa | 435.30 | Calculated Property |
| Pvap | 58.63 | kPa | 451.78 | Calculated Property |
| Pvap | 91.74 | kPa | 468.26 | Calculated Property |
| Pvap | 138.51 | kPa | 484.73 | Calculated Property |
| Pvap | 202.63 | kPa | 501.21 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,7-Dichloroheptane.
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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