- InChI
- InChI=1S/C27H56/c1-5-9-12-15-17-20-23-26-27(8-4,24-21-18-14-11-7-3)25-22-19-16-13-10-6-2/h5-26H2,1-4H3
- InChI Key
- LRJHOBBNMAGOIG-UHFFFAOYSA-N
- Formula
- C27H56
- SMILES
-
CCCCCCCCCC(CC)(CCCCCCC)CCCCCCC
C - Molecular Weight1
- 380.73
- CAS
- 55282-27-4
- Other Names
-
- 9-Ethyl-9-n-heptyloctadecane
- 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 | 0.9872 | Relay (1.0) Calculated Property | |
| ΔfG° | 179.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -574.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.635 | Crippen Calculated Property | |
| McVol | 391.290 | ml/mol | McGowan Calculated Property |
| Pc | 695.81 | kPa | Joback Calculated Property |
| Tboil | 625.49 | K | Relay (1.0) Calculated Property |
| Tc | 801.70 | K | Relay (1.0) Calculated Property |
| Tfus | 193.00 ± 5.00 | K | NIST |
| Vc | 1.480 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [576.79; 1413.75] | 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 | -4.61280e+01 | |||
| Coefficient B | 2.69468e+00 | |||
| Coefficient C | -1.61680e-03 | |||
| Coefficient D | 3.82000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 576.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 721.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 850.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 965.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1066.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1155.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1233.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1301.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1361.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1413.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [6.1755071; 0.0000569] | Pa×s | [193.00; 697.72] |
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 | -1.42069e+01 | |||
| Coefficient B | 3.09330e+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. | 193.00 | |||
| Temperature range, max. | 697.72 | |||
| η | 6.1755071 | Pa×s | 193.00 | Calculated Property |
| η | 0.1673020 | Pa×s | 249.08 | Calculated Property |
| η | 0.0170739 | Pa×s | 305.16 | Calculated Property |
| η | 0.0035392 | Pa×s | 361.24 | Calculated Property |
| η | 0.0011199 | Pa×s | 417.32 | Calculated Property |
| η | 0.0004654 | Pa×s | 473.40 | Calculated Property |
| η | 0.0002329 | Pa×s | 529.48 | Calculated Property |
| η | 0.0001331 | Pa×s | 585.56 | Calculated Property |
| η | 0.0000839 | Pa×s | 641.64 | Calculated Property |
| η | 0.0000569 | Pa×s | 697.72 | Calculated Property |
Similar Compounds
Find more compounds similar to Octadecane, 9-ethyl-9-heptyl-.
Sources
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