- InChI
- InChI=1S/C18H38/c1-6-8-11-17(4)14-10-15-18(5)13-9-12-16(3)7-2/h16-18H,6-15H2,1-5H3
- InChI Key
- DQIDCRGJXXCOMF-UHFFFAOYSA-N
- Formula
- C18H38
- SMILES
- CCCCC(C)CCCC(C)CCCC(C)CC
- Molecular Weight1
- 254.50
- 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 | 0.6684 | Relay (1.0) Calculated Property | |
| ΔfG° | 93.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -468.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.835 | Crippen Calculated Property | |
| McVol | 264.480 | ml/mol | McGowan Calculated Property |
| Pc | 1171.22 | kPa | Joback Calculated Property |
| Inp | [1642.00; 1659.00] |
|
|
| Inp | 1652.00 | NIST | |
| Inp | 1659.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Inp | 1643.00 | NIST | |
| Tboil | 557.10 | K | Relay (1.0) Calculated Property |
| Tc | 717.33 | K | Relay (1.0) Calculated Property |
| Tfus | 213.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.006 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [386.39; 949.58] | 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 | -1.85200e+01 | |||
| Coefficient B | 1.73160e+00 | |||
| Coefficient C | -9.65000e-04 | |||
| Coefficient D | 2.01500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 386.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 482.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 568.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 645.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 713.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 773.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 827.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 873.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 914.32 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 949.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0160811; 0.0001531] | Pa×s | [247.62; 542.95] |
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 | -1.26867e+01 | |||
| Coefficient B | 2.11878e+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. | 247.62 | |||
| Temperature range, max. | 542.95 | |||
| η | 0.0160811 | Pa×s | 247.62 | Calculated Property |
| η | 0.0059086 | Pa×s | 280.43 | Calculated Property |
| η | 0.0026777 | Pa×s | 313.25 | Calculated Property |
| η | 0.0014100 | Pa×s | 346.06 | Calculated Property |
| η | 0.0008297 | Pa×s | 378.88 | Calculated Property |
| η | 0.0005313 | Pa×s | 411.69 | Calculated Property |
| η | 0.0003634 | Pa×s | 444.51 | Calculated Property |
| η | 0.0002618 | Pa×s | 477.32 | Calculated Property |
| η | 0.0001968 | Pa×s | 510.14 | Calculated Property |
| η | 0.0001531 | Pa×s | 542.95 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecane, 3,7,11-trimethyl.
Sources
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