- InChI
- InChI=1S/C11H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3
- InChI Key
- ZHKKNUKCXPWZOP-UHFFFAOYSA-N
- Formula
- C11H23Cl
- SMILES
- CCCCCCCCCCCCl
- Molecular Weight1
- 190.75
- CAS
- 2473-03-2
- Other Names
-
- Undecane, 1-chloro-
- Undecyl chloride
- n-Undecyl chloride
- 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).
- Inp : Non-polar retention indices.
- Ip : 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 |
|---|---|---|---|
| ω | 0.5873 | Relay (1.0) Calculated Property | |
| ΔfG° | 29.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -312.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [65.90; 70.20] | kJ/mol |
|
| ΔvapH° | 70.20 | kJ/mol | NIST |
| ΔvapH° | 65.90 | kJ/mol | NIST |
| IE | 10.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.756 | Crippen Calculated Property | |
| McVol | 178.090 | ml/mol | McGowan Calculated Property |
| Pc | 1872.41 | kPa | Joback Calculated Property |
| Inp | [1358.00; 1365.00] |
|
|
| Inp | 1358.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Ip | [1561.00; 1561.00] |
|
|
| Ip | 1561.00 | NIST | |
| Ip | 1561.00 | NIST | |
| Ip | 1561.00 | NIST | |
| Tboil | 503.74 | K | Relay (1.0) Calculated Property |
| Tc | 694.49 | K | Relay (1.0) Calculated Property |
| Tfus | 256.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.708 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 59.40 | kJ/mol | 446.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [252.24; 595.10] | 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 | 5.78000e+00 | |||
| Coefficient B | 1.05562e+00 | |||
| Coefficient C | -5.95000e-04 | |||
| Coefficient D | 1.28700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 252.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 310.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 362.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 409.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 450.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 487.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 520.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 548.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 573.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 595.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0038888; 0.0002826] | Pa×s | [256.15; 459.50] |
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 | -1.14740e+01 | |||
| Coefficient B | 1.51752e+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. | 256.15 | |||
| Temperature range, max. | 459.50 | |||
| η | 0.0038888 | Pa×s | 256.15 | Calculated Property |
| η | 0.0024058 | Pa×s | 278.74 | Calculated Property |
| η | 0.0015995 | Pa×s | 301.34 | Calculated Property |
| η | 0.0011257 | Pa×s | 323.93 | Calculated Property |
| η | 0.0008294 | Pa×s | 346.53 | Calculated Property |
| η | 0.0006344 | Pa×s | 369.12 | Calculated Property |
| η | 0.0005005 | Pa×s | 391.72 | Calculated Property |
| η | 0.0004052 | Pa×s | 414.31 | Calculated Property |
| η | 0.0003352 | Pa×s | 436.91 | Calculated Property |
| η | 0.0002826 | Pa×s | 459.50 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [395.79; 547.73] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.55784e+01 | |||
| Coefficient B | -4.74781e+03 | |||
| Coefficient C | -8.52900e+01 | |||
| Temperature range, min. | 395.79 | |||
| Temperature range, max. | 547.73 | |||
| Pvap | 1.33 | kPa | 395.79 | Calculated Property |
| Pvap | 2.93 | kPa | 412.67 | Calculated Property |
| Pvap | 5.97 | kPa | 429.55 | Calculated Property |
| Pvap | 11.38 | kPa | 446.44 | Calculated Property |
| Pvap | 20.47 | kPa | 463.32 | Calculated Property |
| Pvap | 35.02 | kPa | 480.20 | Calculated Property |
| Pvap | 57.33 | kPa | 497.08 | Calculated Property |
| Pvap | 90.27 | kPa | 513.97 | Calculated Property |
| Pvap | 137.34 | kPa | 530.85 | Calculated Property |
| Pvap | 202.65 | kPa | 547.73 | Calculated Property |
| Pvap | [0.73; 101.57] | kPa | [374.60; 518.60] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40398e+01 | |||
| Coefficient B | -3.94485e+03 | |||
| Coefficient C | -9.97840e+01 | |||
| Reference | Kemme and Kreps, 1969 | |||
| Temperature range, min. | 374.60 | |||
| Temperature range, max. | 518.60 | |||
| Pvap | 0.73 | kPa | 374.60 | Calculated Property |
| Pvap | 1.61 | kPa | 390.60 | Calculated Property |
| Pvap | 3.26 | kPa | 406.60 | Calculated Property |
| Pvap | 6.17 | kPa | 422.60 | Calculated Property |
| Pvap | 10.99 | kPa | 438.60 | Calculated Property |
| Pvap | 18.57 | kPa | 454.60 | Calculated Property |
| Pvap | 30.01 | kPa | 470.60 | Calculated Property |
| Pvap | 46.60 | kPa | 486.60 | Calculated Property |
| Pvap | 69.87 | kPa | 502.60 | Calculated Property |
| Pvap | 101.57 | kPa | 518.60 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Chloroundecane.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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