- InChI
- InChI=1S/C23H48/c1-4-7-10-13-15-18-21-23(20-17-12-9-6-3)22-19-16-14-11-8-5-2/h23H,4-22H2,1-3H3
- InChI Key
- ZUSMXUXZJCOSPV-UHFFFAOYSA-N
- Formula
- C23H48
- SMILES
- CCCCCCCCC(CCCCCC)CCCCCCCC
- Molecular Weight1
- 324.64
- Other Names
-
- 9-n-Hexylheptadecane
- 9-Hexyl-heptadecane
- 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).
- 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 | 0.9071 | Relay (1.0) Calculated Property | |
| ΔfG° | 140.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -518.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.074 | Crippen Calculated Property | |
| McVol | 334.930 | ml/mol | McGowan Calculated Property |
| Pc | 855.96 | kPa | Joback Calculated Property |
| Tboil | 598.13 | K | Relay (1.0) Calculated Property |
| Tc | 768.13 | K | Relay (1.0) Calculated Property |
| Tfus | [253.75; 253.80] | K |
|
| Tfus | 253.75 | K | NIST |
| Tfus | 253.80 ± 0.60 | K | NIST |
| Vc | 1.301 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 82.60 | kJ/mol | 468.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [493.08; 1206.46] | 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 | -1.97010e+01 | |||
| Coefficient B | 2.19476e+00 | |||
| Coefficient C | -1.23060e-03 | |||
| Coefficient D | 2.62000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 493.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 614.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 723.16 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 820.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 906.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 983.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1050.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1109.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1161.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1206.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0382307; 0.0001065] | Pa×s | [253.78; 624.87] |
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 | -1.31703e+01 | |||
| Coefficient B | 2.51394e+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. | 253.78 | |||
| Temperature range, max. | 624.87 | |||
| η | 0.0382307 | Pa×s | 253.78 | Calculated Property |
| η | 0.0095742 | Pa×s | 295.01 | Calculated Property |
| η | 0.0033672 | Pa×s | 336.24 | Calculated Property |
| η | 0.0014879 | Pa×s | 377.47 | Calculated Property |
| η | 0.0007722 | Pa×s | 418.71 | Calculated Property |
| η | 0.0004508 | Pa×s | 459.94 | Calculated Property |
| η | 0.0002875 | Pa×s | 501.17 | Calculated Property |
| η | 0.0001964 | Pa×s | 542.40 | Calculated Property |
| η | 0.0001415 | Pa×s | 583.64 | Calculated Property |
| η | 0.0001065 | Pa×s | 624.87 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecane, 9-hexyl-.
Sources
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