- InChI
- InChI=1S/C18H26/c1-3-7-11-17-15(9-5-1)13-14-16-10-6-2-4-8-12-18(16)17/h13-14H,1-12H2
- InChI Key
- IRATWOHAZBNERN-UHFFFAOYSA-N
- Formula
- C18H26
- SMILES
- c1cc2c(c3c1CCCCCC3)CCCCCC2
- Molecular Weight1
- 242.40
- CAS
- 17044-68-7
- 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).
- 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 | 0.4597 | Relay (1.0) Calculated Property | |
| ΔfG° | 248.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -126.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.93 ± 0.03 | eV | NIST |
| log10WS | -6.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.005 | Crippen Calculated Property | |
| McVol | 219.000 | ml/mol | McGowan Calculated Property |
| Pc | 2096.50 | kPa | Joback Calculated Property |
| Tboil | 642.72 | K | Relay (1.0) Calculated Property |
| Tc | 862.02 | K | Relay (1.0) Calculated Property |
| Tfus | 374.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.789 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.96; 777.15] | 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 | -1.47570e+02 | |||
| Coefficient B | 1.75360e+00 | |||
| Coefficient C | -1.05828e-03 | |||
| Coefficient D | 2.29400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 256.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 350.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 433.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 506.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 570.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 625.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 673.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 713.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 748.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 777.15 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021933; 0.0001097] | Pa×s | [379.84; 669.60] |
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 | -1.30434e+01 | |||
| Coefficient B | 2.62888e+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. | 379.84 | |||
| Temperature range, max. | 669.60 | |||
| η | 0.0021933 | Pa×s | 379.84 | Calculated Property |
| η | 0.0012771 | Pa×s | 412.04 | Calculated Property |
| η | 0.0008043 | Pa×s | 444.23 | Calculated Property |
| η | 0.0005392 | Pa×s | 476.43 | Calculated Property |
| η | 0.0003802 | Pa×s | 508.62 | Calculated Property |
| η | 0.0002795 | Pa×s | 540.82 | Calculated Property |
| η | 0.0002127 | Pa×s | 573.02 | Calculated Property |
| η | 0.0001666 | Pa×s | 605.21 | Calculated Property |
| η | 0.0001338 | Pa×s | 637.41 | Calculated Property |
| η | 0.0001097 | Pa×s | 669.60 | Calculated Property |
Similar Compounds
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Sources
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