- InChI
- InChI=1S/C19H40/c1-5-7-9-10-11-12-13-15-17-19(4)18(3)16-14-8-6-2/h18-19H,5-17H2,1-4H3
- InChI Key
- ZSVCFWWRLOELDR-UHFFFAOYSA-N
- Formula
- C19H40
- SMILES
- CCCCCCCCCCC(C)C(C)CCCCC
- Molecular Weight1
- 268.52
- 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.
- 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 | 0.7387 | Relay (1.0) Calculated Property | |
| ΔfG° | 104.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -442.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.370 | Crippen Calculated Property | |
| McVol | 278.570 | ml/mol | McGowan Calculated Property |
| Pc | 1092.10 | kPa | Joback Calculated Property |
| Inp | [1813.00; 1815.00] |
|
|
| Inp | 1813.00 | NIST | |
| Inp | 1815.00 | NIST | |
| Inp | 1815.00 | NIST | |
| Tboil | 565.77 | K | Relay (1.0) Calculated Property |
| Tc | 740.45 | K | Relay (1.0) Calculated Property |
| Tfus | 259.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.075 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.91; 1000.63] | 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 | -1.77470e+01 | |||
| Coefficient B | 1.82068e+00 | |||
| Coefficient C | -1.01620e-03 | |||
| Coefficient D | 2.13900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 407.91 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 508.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 599.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 679.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 751.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 815.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 871.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 920.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 963.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1000.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0085960; 0.0001510] | Pa×s | [273.89; 557.73] |
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 | -1.26980e+01 | |||
| Coefficient B | 2.17512e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.89 | |||
| Temperature range, max. | 557.73 | |||
| η | 0.0085960 | Pa×s | 273.89 | Calculated Property |
| η | 0.0037858 | Pa×s | 305.43 | Calculated Property |
| η | 0.0019440 | Pa×s | 336.97 | Calculated Property |
| η | 0.0011188 | Pa×s | 368.50 | Calculated Property |
| η | 0.0007025 | Pa×s | 400.04 | Calculated Property |
| η | 0.0004722 | Pa×s | 431.58 | Calculated Property |
| η | 0.0003350 | Pa×s | 463.12 | Calculated Property |
| η | 0.0002483 | Pa×s | 494.66 | Calculated Property |
| η | 0.0001908 | Pa×s | 526.19 | Calculated Property |
| η | 0.0001510 | Pa×s | 557.73 | Calculated Property |
Similar Compounds
Find more compounds similar to 6,7-dimethylheptadecane.
Sources
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