- InChI
- InChI=1S/C27H55Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28/h2-27H2,1H3
- InChI Key
- SHDKPHGPBNHILS-UHFFFAOYSA-N
- Formula
- C27H55Cl
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCl
- Molecular Weight1
- 415.18
- CAS
- 62016-79-9
- 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).
- 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 | 1.1559 | Relay (1.0) Calculated Property | |
| ΔfG° | 164.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -646.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 150.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.998 | Crippen Calculated Property | |
| McVol | 403.530 | ml/mol | McGowan Calculated Property |
| Pc | 675.70 | kPa | Joback Calculated Property |
| Tboil | 630.57 | K | Relay (1.0) Calculated Property |
| Tc | 826.33 | K | Relay (1.0) Calculated Property |
| Tfus | 328.83 | K | Relay (1.0) Calculated Property |
| Vc | 1.613 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [591.66; 1420.56] | 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 | -8.76400e+00 | |||
| Coefficient B | 2.57562e+00 | |||
| Coefficient C | -1.46540e-03 | |||
| Coefficient D | 3.19100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 591.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 733.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 859.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 973.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1073.46 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1162.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1240.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1308.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1368.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1420.56 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011738; 0.0000578] | Pa×s | [423.97; 733.56] |
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 | -1.38803e+01 | |||
| Coefficient B | 3.02408e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 423.97 | |||
| Temperature range, max. | 733.56 | |||
| η | 0.0011738 | Pa×s | 423.97 | Calculated Property |
| η | 0.0006873 | Pa×s | 458.37 | Calculated Property |
| η | 0.0004336 | Pa×s | 492.77 | Calculated Property |
| η | 0.0002905 | Pa×s | 527.17 | Calculated Property |
| η | 0.0002045 | Pa×s | 561.57 | Calculated Property |
| η | 0.0001498 | Pa×s | 595.96 | Calculated Property |
| η | 0.0001136 | Pa×s | 630.36 | Calculated Property |
| η | 0.0000886 | Pa×s | 664.76 | Calculated Property |
| η | 0.0000708 | Pa×s | 699.16 | Calculated Property |
| η | 0.0000578 | Pa×s | 733.56 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptacosane, 1-chloro-.
Sources
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