- InChI
- InChI=1S/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H3
- InChI Key
- DZMDPHNGKBEVRE-UHFFFAOYSA-N
- Formula
- C7H15Cl
- SMILES
- CCCCCCCCl
- Molecular Weight1
- 134.65
- CAS
- 629-06-1
- Other Names
-
- 1-Chloroheptane
- Heptyl chloride
- N-HEPTYL CHLORIDE
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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° | -3.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -203.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [47.00; 47.90] | kJ/mol |
|
| ΔvapH° | 47.68 | kJ/mol | NIST |
| ΔvapH° | 47.90 | kJ/mol | NIST |
| ΔvapH° | 47.00 | kJ/mol | NIST |
| ΔvapH° | 47.70 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 47.66 ± 0.10 | kJ/mol | NIST |
| IE | 10.15 | eV | NIST |
| log10WS | [-4.00; -3.99] |
|
|
| log10WS | -3.99 | Aq. Sol... | |
| log10WS | -4.00 | Estimat... | |
| logPoct/wat | 3.196 | Crippen Calculated Property | |
| McVol | 121.730 | ml/mol | McGowan Calculated Property |
| Pc | 2693.00 | kPa | Joback Calculated Property |
| Inp | [934.50; 962.00] |
|
|
| Inp | 945.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 934.50 | NIST | |
| Inp | 948.30 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 962.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 945.00 | NIST | |
| I | [1135.00; 1155.00] |
|
|
| I | 1135.00 | NIST | |
| I | 1150.00 | NIST | |
| I | 1142.00 | NIST | |
| I | 1151.00 | NIST | |
| I | 1152.00 | NIST | |
| I | 1155.00 | NIST | |
| I | 1154.00 | NIST | |
| Tboil | [431.55; 433.15] | K |
|
| Tboil | 433.15 | K | KDB |
| Tboil | 432.20 | K | NIST |
| Tboil | 433.15 ± 0.30 | K | NIST |
| Tboil | 431.55 ± 1.00 | K | NIST |
| Tc | 568.65 | K | Joback Calculated Property |
| Tfus | [203.40; 203.65] | K |
|
| Tfus | 203.40 | K | Aq. Sol... |
| Tfus | 203.65 ± 0.40 | K | NIST |
| Vc | 0.476 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [223.23; 286.48] | J/mol×K | [396.99; 568.65] |
|
| Cp,gas | 223.23 | J/mol×K | 396.99 | Joback Calculated Property |
| Cp,gas | 234.85 | J/mol×K | 425.60 | Joback Calculated Property |
| Cp,gas | 246.03 | J/mol×K | 454.21 | Joback Calculated Property |
| Cp,gas | 256.77 | J/mol×K | 482.82 | Joback Calculated Property |
| Cp,gas | 267.08 | J/mol×K | 511.43 | Joback Calculated Property |
| Cp,gas | 276.99 | J/mol×K | 540.04 | Joback Calculated Property |
| Cp,gas | 286.48 | J/mol×K | 568.65 | Joback Calculated Property |
| Cp,liquid | [240.95; 266.51] | J/mol×K | [284.15; 353.15] |
|
| Cp,liquid | 240.95 | J/mol×K | 284.15 | Heat Ca... |
| Cp,liquid | 241.75 | J/mol×K | 286.65 | Heat Ca... |
| Cp,liquid | 242.67 | J/mol×K | 289.15 | Heat Ca... |
| Cp,liquid | 243.40 | J/mol×K | 291.65 | Heat Ca... |
| Cp,liquid | 244.29 | J/mol×K | 294.15 | Heat Ca... |
| Cp,liquid | 245.23 | J/mol×K | 296.65 | Heat Ca... |
| Cp,liquid | 245.40 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 246.05 | J/mol×K | 299.15 | Heat Ca... |
| Cp,liquid | 247.03 | J/mol×K | 301.65 | Heat Ca... |
| Cp,liquid | 247.61 | J/mol×K | 304.15 | Heat Ca... |
| Cp,liquid | 248.53 | J/mol×K | 306.65 | Heat Ca... |
| Cp,liquid | 249.54 | J/mol×K | 309.15 | Heat Ca... |
| Cp,liquid | 250.65 | J/mol×K | 311.65 | Heat Ca... |
| Cp,liquid | 251.60 | J/mol×K | 314.15 | Heat Ca... |
| Cp,liquid | 252.20 | J/mol×K | 316.65 | Heat Ca... |
| Cp,liquid | 253.36 | J/mol×K | 319.15 | Heat Ca... |
| Cp,liquid | 254.42 | J/mol×K | 321.65 | Heat Ca... |
| Cp,liquid | 254.76 | J/mol×K | 324.15 | Heat Ca... |
| Cp,liquid | 256.19 | J/mol×K | 326.65 | Heat Ca... |
| Cp,liquid | 257.57 | J/mol×K | 329.15 | Heat Ca... |
| Cp,liquid | 258.06 | J/mol×K | 331.65 | Heat Ca... |
| Cp,liquid | 258.84 | J/mol×K | 334.15 | Heat Ca... |
| Cp,liquid | 259.88 | J/mol×K | 336.65 | Heat Ca... |
| Cp,liquid | 261.01 | J/mol×K | 339.15 | Heat Ca... |
| Cp,liquid | 261.55 | J/mol×K | 341.65 | Heat Ca... |
| Cp,liquid | 262.90 | J/mol×K | 344.15 | Heat Ca... |
| Cp,liquid | 263.26 | J/mol×K | 346.65 | Heat Ca... |
| Cp,liquid | 264.30 | J/mol×K | 349.15 | Heat Ca... |
| Cp,liquid | 266.04 | J/mol×K | 351.65 | Heat Ca... |
| Cp,liquid | 266.51 | J/mol×K | 353.15 | Heat Ca... |
| η | [0.0002880; 0.0050881] | Pa×s | [198.57; 396.99] |
|
| η | 0.0050881 | Pa×s | 198.57 | Joback Calculated Property |
| η | 0.0022404 | Pa×s | 231.64 | Joback Calculated Property |
| η | 0.0012109 | Pa×s | 264.71 | Joback Calculated Property |
| η | 0.0007503 | Pa×s | 297.78 | Joback Calculated Property |
| η | 0.0005116 | Pa×s | 330.85 | Joback Calculated Property |
| η | 0.0003740 | Pa×s | 363.92 | Joback Calculated Property |
| η | 0.0002880 | Pa×s | 396.99 | Joback Calculated Property |
| ΔvapH | [45.10; 46.90] | kJ/mol | [370.50; 394.00] |
|
| ΔvapH | 46.90 | kJ/mol | 370.50 | NIST |
| ΔvapH | 45.10 | kJ/mol | 394.00 | NIST |
| n0 | 1.42360 | 298.15 | Densiti... | |
| ρl | [784.40; 908.30] | kg/m3 | [253.15; 393.15] |
|
| ρl | 908.30 | kg/m3 | 253.15 | Density... |
| ρl | 900.40 | kg/m3 | 263.15 | Density... |
| ρl | 891.70 | kg/m3 | 273.15 | Density... |
| ρl | 883.40 | kg/m3 | 283.15 | Density... |
| ρl | 874.50 | kg/m3 | 293.15 | Density... |
| ρl | 870.40 | kg/m3 | 298.15 | Density... |
| ρl | 848.20 | kg/m3 | 323.65 | Density... |
| ρl | 830.60 | kg/m3 | 343.15 | Density... |
| ρl | 812.60 | kg/m3 | 363.15 | Density... |
| ρl | 784.40 | kg/m3 | 393.15 | Density... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [326.32; 457.53] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54644e+01 | |||
| Coefficient B | -4.02446e+03 | |||
| Coefficient C | -6.11490e+01 | |||
| Temperature range, min. | 326.32 | |||
| Temperature range, max. | 457.53 | |||
| Pvap | 1.33 | kPa | 326.32 | Calculated Property |
| Pvap | 2.94 | kPa | 340.90 | Calculated Property |
| Pvap | 6.00 | kPa | 355.48 | Calculated Property |
| Pvap | 11.43 | kPa | 370.06 | Calculated Property |
| Pvap | 20.56 | kPa | 384.64 | Calculated Property |
| Pvap | 35.17 | kPa | 399.21 | Calculated Property |
| Pvap | 57.52 | kPa | 413.79 | Calculated Property |
| Pvap | 90.49 | kPa | 428.37 | Calculated Property |
| Pvap | 137.52 | kPa | 442.95 | Calculated Property |
| Pvap | 202.64 | kPa | 457.53 | Calculated Property |
| Pvap | [0.67; 100.27] | kPa | [307.15; 433.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.30860e+02 | |||
| Coefficient B | -1.03354e+04 | |||
| Coefficient C | -1.72470e+01 | |||
| Coefficient D | 1.23476e-05 | |||
| Temperature range, min. | 307.15 | |||
| Temperature range, max. | 433.15 | |||
| Pvap | 0.67 | kPa | 307.15 | Calculated Property |
| Pvap | 1.50 | kPa | 321.15 | Calculated Property |
| Pvap | 3.08 | kPa | 335.15 | Calculated Property |
| Pvap | 5.89 | kPa | 349.15 | Calculated Property |
| Pvap | 10.59 | kPa | 363.15 | Calculated Property |
| Pvap | 18.03 | kPa | 377.15 | Calculated Property |
| Pvap | 29.29 | kPa | 391.15 | Calculated Property |
| Pvap | 45.67 | kPa | 405.15 | Calculated Property |
| Pvap | 68.73 | kPa | 419.15 | Calculated Property |
| Pvap | 100.27 | kPa | 433.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 1-chloro-.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Densities, Excess Molar Volumes, Viscosities, and Refractive Indices of Binary Mixtures of n-Butyl Acetate with 1-Chloroalkanes (C4 C8) at 298.15 K
- Does Alkyl Chain Length Really Matter? Structure-Property Relationships in Thermochemistry of Ionic Liquids.
- Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
- Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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