- InChI
- InChI=1S/C21H44/c1-7-19(4)13-8-9-14-20(5)16-11-17-21(6)15-10-12-18(2)3/h18-21H,7-17H2,1-6H3
- InChI Key
- ZZEQNXPBKOFTBG-UHFFFAOYSA-N
- Formula
- C21H44
- SMILES
- CCC(C)CCCCC(C)CCCC(C)CCCC(C)C
- Molecular Weight1
- 296.57
- CAS
- 54833-48-6
- 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).
- 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 | 0.7463 | Relay (1.0) Calculated Property | |
| ΔfG° | 116.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -555.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.862 | Crippen Calculated Property | |
| McVol | 306.750 | ml/mol | McGowan Calculated Property |
| Pc | 975.34 | kPa | Joback Calculated Property |
| Inp | [1885.00; 1914.00] |
|
|
| Inp | 1893.00 | NIST | |
| Inp | 1914.00 | NIST | |
| Inp | 1885.00 | NIST | |
| Inp | 1893.00 | NIST | |
| Inp | 1914.00 | NIST | |
| Ip | [1660.00; 1660.00] |
|
|
| Ip | 1660.00 | NIST | |
| Ip | 1660.00 | NIST | |
| Tboil | 584.38 | K | Relay (1.0) Calculated Property |
| Tc | 744.41 | K | Relay (1.0) Calculated Property |
| Tfus | 224.87 | K | Relay (1.0) Calculated Property |
| Vc | 1.170 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [449.71; 1104.89] | 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 | -2.29290e+01 | |||
| Coefficient B | 2.02252e+00 | |||
| Coefficient C | -1.13140e-03 | |||
| Coefficient D | 2.36700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 449.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 561.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 661.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 751.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 830.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 901.12 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 962.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1016.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1064.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1104.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0164078; 0.0001064] | Pa×s | [266.43; 592.54] |
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 | -1.32647e+01 | |||
| Coefficient B | 2.43908e+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. | 266.43 | |||
| Temperature range, max. | 592.54 | |||
| η | 0.0164078 | Pa×s | 266.43 | Calculated Property |
| η | 0.0054836 | Pa×s | 302.66 | Calculated Property |
| η | 0.0023167 | Pa×s | 338.90 | Calculated Property |
| η | 0.0011560 | Pa×s | 375.13 | Calculated Property |
| η | 0.0006520 | Pa×s | 411.37 | Calculated Property |
| η | 0.0004034 | Pa×s | 447.60 | Calculated Property |
| η | 0.0002683 | Pa×s | 483.84 | Calculated Property |
| η | 0.0001888 | Pa×s | 520.07 | Calculated Property |
| η | 0.0001391 | Pa×s | 556.31 | Calculated Property |
| η | 0.0001064 | Pa×s | 592.54 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecane, 2,6,10,15-tetramethyl-.
Sources
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