- InChI
- InChI=1S/C7H14Cl2/c1-2-3-4-5-6-7(8)9/h7H,2-6H2,1H3
- InChI Key
- MEMYUUBNXYUWRG-UHFFFAOYSA-N
- Formula
- C7H14Cl2
- SMILES
- CCCCCCC(Cl)Cl
- Molecular Weight1
- 169.09
- CAS
- 821-25-0
- 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).
- 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 | 0.4198 | Relay (1.0) Calculated Property | |
| ΔfG° | -18.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -224.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.50 | kJ/mol | NIST |
| IE | 10.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.760 | Crippen Calculated Property | |
| McVol | 133.970 | ml/mol | McGowan Calculated Property |
| Pc | 2613.74 | kPa | Joback Calculated Property |
| Tboil | 468.00 ± 3.00 | K | NIST |
| Tc | 644.24 | K | Relay (1.0) Calculated Property |
| Tfus | 206.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.511 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.47; 397.55] | 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 | 2.06250e+01 | |||
| Coefficient B | 6.88320e-01 | |||
| Coefficient C | -4.01000e-04 | |||
| Coefficient D | 8.96000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 180.47 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 217.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 251.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 281.11 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 307.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 330.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 350.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 368.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 384.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 397.55 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0074245; 0.0003031] | Pa×s | [213.49; 431.97] |
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 | -1.12265e+01 | |||
| Coefficient B | 1.35002e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 213.49 | |||
| Temperature range, max. | 431.97 | |||
| η | 0.0074245 | Pa×s | 213.49 | Calculated Property |
| η | 0.0038929 | Pa×s | 237.77 | Calculated Property |
| η | 0.0023005 | Pa×s | 262.04 | Calculated Property |
| η | 0.0014863 | Pa×s | 286.32 | Calculated Property |
| η | 0.0010282 | Pa×s | 310.59 | Calculated Property |
| η | 0.0007503 | Pa×s | 334.87 | Calculated Property |
| η | 0.0005713 | Pa×s | 359.15 | Calculated Property |
| η | 0.0004503 | Pa×s | 383.42 | Calculated Property |
| η | 0.0003651 | Pa×s | 407.70 | Calculated Property |
| η | 0.0003031 | Pa×s | 431.97 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [353.12; 495.61] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.53264e+01 | |||
| Coefficient B | -4.27173e+03 | |||
| Coefficient C | -6.90720e+01 | |||
| Temperature range, min. | 353.12 | |||
| Temperature range, max. | 495.61 | |||
| Pvap | 1.33 | kPa | 353.12 | Calculated Property |
| Pvap | 2.95 | kPa | 368.95 | Calculated Property |
| Pvap | 6.02 | kPa | 384.78 | Calculated Property |
| Pvap | 11.50 | kPa | 400.62 | Calculated Property |
| Pvap | 20.68 | kPa | 416.45 | Calculated Property |
| Pvap | 35.35 | kPa | 432.28 | Calculated Property |
| Pvap | 57.77 | kPa | 448.11 | Calculated Property |
| Pvap | 90.77 | kPa | 463.95 | Calculated Property |
| Pvap | 137.74 | kPa | 479.78 | Calculated Property |
| Pvap | 202.65 | kPa | 495.61 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1-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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