- InChI
- InChI=1S/C19H40/c1-6-18(4)15-12-16-19(5)14-11-9-7-8-10-13-17(2)3/h17-19H,6-16H2,1-5H3
- InChI Key
- IRVLIVYLWGPDFT-UHFFFAOYSA-N
- Formula
- C19H40
- SMILES
- CCC(C)CCCC(C)CCCCCCCC(C)C
- 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 | 0.7189 | Relay (1.0) Calculated Property | |
| ΔfG° | 101.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -489.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.226 | Crippen Calculated Property | |
| McVol | 278.570 | ml/mol | McGowan Calculated Property |
| Pc | 1097.90 | kPa | Joback Calculated Property |
| Inp | [1771.00; 1786.00] |
|
|
| Inp | 1780.00 | NIST | |
| Inp | 1786.00 | NIST | |
| Inp | 1771.00 | NIST | |
| Inp | 1773.00 | NIST | |
| Inp | 1780.00 | NIST | |
| Tboil | 569.08 | K | Relay (1.0) Calculated Property |
| Tc | 729.76 | K | Relay (1.0) Calculated Property |
| Tfus | 231.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.071 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.60; 1001.17] | 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 | -1.94290e+01 | |||
| Coefficient B | 1.82660e+00 | |||
| Coefficient C | -1.01940e-03 | |||
| Coefficient D | 2.13400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 407.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 508.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 599.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 680.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 752.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 816.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 872.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 921.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 964.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1001.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0137841; 0.0001402] | Pa×s | [258.89; 558.90] |
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 | -1.28320e+01 | |||
| Coefficient B | 2.21294e+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. | 258.89 | |||
| Temperature range, max. | 558.90 | |||
| η | 0.0137841 | Pa×s | 258.89 | Calculated Property |
| η | 0.0051990 | Pa×s | 292.22 | Calculated Property |
| η | 0.0023943 | Pa×s | 325.56 | Calculated Property |
| η | 0.0012735 | Pa×s | 358.89 | Calculated Property |
| η | 0.0007541 | Pa×s | 392.23 | Calculated Property |
| η | 0.0004847 | Pa×s | 425.56 | Calculated Property |
| η | 0.0003322 | Pa×s | 458.89 | Calculated Property |
| η | 0.0002397 | Pa×s | 492.23 | Calculated Property |
| η | 0.0001802 | Pa×s | 525.56 | Calculated Property |
| η | 0.0001402 | Pa×s | 558.90 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecane, 2,10,14-trimethyl.
Sources
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