- InChI
- InChI=1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
- InChI Key
- YAYNEUUHHLGGAH-UHFFFAOYSA-N
- Formula
- C12H25Cl
- SMILES
- CCCCCCCCCCCCCl
- Molecular Weight1
- 204.78
- CAS
- 112-52-7
- Other Names
-
- 1-Chlorododecane
- Dodecyl chloride
- Lauryl chloride
- n-Dodecyl chloride
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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.
- I : Polar retention indices.
- 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 | 0.6248 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -7926.40 ± 2.40 | kJ/mol | NIST |
| ΔfG° | 38.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.00 ± 2.50 | kJ/mol | NIST |
| ΔfH°liquid | -392.30 ± 2.40 | kJ/mol | NIST |
| ΔfusH° | 31.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [70.30; 75.80] | kJ/mol |
|
| ΔvapH° | 71.13 | kJ/mol | NIST |
| ΔvapH° | 75.80 | kJ/mol | NIST |
| ΔvapH° | 73.90 ± 1.40 | kJ/mol | NIST |
| ΔvapH° | 70.50 | kJ/mol | NIST |
| ΔvapH° | 71.93 ± 0.32 | kJ/mol | NIST |
| ΔvapH° | 71.90 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 70.30 ± 0.50 | kJ/mol | NIST |
| IE | 10.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.146 | Crippen Calculated Property | |
| McVol | 192.180 | ml/mol | McGowan Calculated Property |
| Pc | 1726.03 | kPa | Joback Calculated Property |
| Inp | [246.60; 1469.00] |
|
|
| Inp | 1461.00 | NIST | |
| Inp | 1469.00 | NIST | |
| Inp | 1446.00 | NIST | |
| Inp | 1432.00 | NIST | |
| Inp | 246.60 | NIST | |
| Inp | 246.60 | NIST | |
| Inp | 1469.00 | NIST | |
| I | [1661.00; 1684.00] |
|
|
| I | 1661.00 | NIST | |
| I | 1664.00 | NIST | |
| I | 1684.00 | NIST | |
| I | 1664.00 | NIST | |
| I | 1684.00 | NIST | |
| Tboil | 533.20 | K | NIST |
| Tc | 709.09 | K | Relay (1.0) Calculated Property |
| Tfus | 276.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.766 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 62.40 | kJ/mol | 454.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 399.60 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.45; 646.69] | 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 | 4.87100e+00 | |||
| Coefficient B | 1.15062e+00 | |||
| Coefficient C | -6.49400e-04 | |||
| Coefficient D | 1.40600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 273.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 336.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 393.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 444.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 489.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 529.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 565.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 595.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 623.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 646.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0050937; 0.0002727] | Pa×s | [254.92; 474.76] |
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 | -1.16020e+01 | |||
| Coefficient B | 1.61168e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 254.92 | |||
| Temperature range, max. | 474.76 | |||
| η | 0.0050937 | Pa×s | 254.92 | Calculated Property |
| η | 0.0029305 | Pa×s | 279.35 | Calculated Property |
| η | 0.0018427 | Pa×s | 303.77 | Calculated Property |
| η | 0.0012416 | Pa×s | 328.20 | Calculated Property |
| η | 0.0008836 | Pa×s | 352.63 | Calculated Property |
| η | 0.0006571 | Pa×s | 377.05 | Calculated Property |
| η | 0.0005067 | Pa×s | 401.48 | Calculated Property |
| η | 0.0004025 | Pa×s | 425.91 | Calculated Property |
| η | 0.0003278 | Pa×s | 450.33 | Calculated Property |
| η | 0.0002727 | Pa×s | 474.76 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [410.06; 562.74] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.58353e+01 | |||
| Coefficient B | -4.97239e+03 | |||
| Coefficient C | -9.02500e+01 | |||
| Temperature range, min. | 410.06 | |||
| Temperature range, max. | 562.74 | |||
| Pvap | 1.33 | kPa | 410.06 | Calculated Property |
| Pvap | 2.92 | kPa | 427.02 | Calculated Property |
| Pvap | 5.92 | kPa | 443.99 | Calculated Property |
| Pvap | 11.27 | kPa | 460.95 | Calculated Property |
| Pvap | 20.27 | kPa | 477.92 | Calculated Property |
| Pvap | 34.70 | kPa | 494.88 | Calculated Property |
| Pvap | 56.89 | kPa | 511.85 | Calculated Property |
| Pvap | 89.78 | kPa | 528.81 | Calculated Property |
| Pvap | 136.95 | kPa | 545.78 | Calculated Property |
| Pvap | 202.66 | kPa | 562.74 | Calculated Property |
| Pvap | [0.73; 67.41] | kPa | [389.00; 518.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40335e+01 | |||
| Coefficient B | -4.03892e+03 | |||
| Coefficient C | -1.07518e+02 | |||
| Reference | Kemme and Kreps, 1969 | |||
| Temperature range, min. | 389.00 | |||
| Temperature range, max. | 518.70 | |||
| Pvap | 0.73 | kPa | 389.00 | Calculated Property |
| Pvap | 1.47 | kPa | 403.41 | Calculated Property |
| Pvap | 2.77 | kPa | 417.82 | Calculated Property |
| Pvap | 4.93 | kPa | 432.23 | Calculated Property |
| Pvap | 8.36 | kPa | 446.64 | Calculated Property |
| Pvap | 13.59 | kPa | 461.06 | Calculated Property |
| Pvap | 21.26 | kPa | 475.47 | Calculated Property |
| Pvap | 32.15 | kPa | 489.88 | Calculated Property |
| Pvap | 47.18 | kPa | 504.29 | Calculated Property |
| Pvap | 67.41 | kPa | 518.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Dodecane, 1-chloro-.
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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