- InChI
- InChI=1S/C13H28/c1-4-7-8-9-10-12-13(6-3)11-5-2/h13H,4-12H2,1-3H3
- InChI Key
- MVVIXMNNJWGWHB-UHFFFAOYSA-N
- Formula
- C13H28
- SMILES
- CCCCCCCC(CC)CCC
- Molecular Weight1
- 184.36
- CAS
- 17312-59-3
- 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 | 0.5597 | Relay (1.0) Calculated Property | |
| ΔfG° | 56.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -306.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.173 | Crippen Calculated Property | |
| McVol | 194.030 | ml/mol | McGowan Calculated Property |
| Pc | 1655.15 | kPa | Joback Calculated Property |
| Inp | 1242.00 | NIST | |
| Tboil | 497.60 ± 2.00 | K | NIST |
| Tc | 665.07 | K | Relay (1.0) Calculated Property |
| Tfus | 206.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.736 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.95; 690.55] | 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 | -1.06110e+01 | |||
| Coefficient B | 1.24476e+00 | |||
| Coefficient C | -6.86600e-04 | |||
| Coefficient D | 1.43000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 280.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 350.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 412.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 468.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 517.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 561.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 600.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 634.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 664.51 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 690.55 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0096568; 0.0002381] | Pa×s | [221.27; 461.99] |
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 | -1.17461e+01 | |||
| Coefficient B | 1.57234e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 221.27 | |||
| Temperature range, max. | 461.99 | |||
| η | 0.0096568 | Pa×s | 221.27 | Calculated Property |
| η | 0.0044877 | Pa×s | 248.02 | Calculated Property |
| η | 0.0024211 | Pa×s | 274.76 | Calculated Property |
| η | 0.0014573 | Pa×s | 301.51 | Calculated Property |
| η | 0.0009528 | Pa×s | 328.26 | Calculated Property |
| η | 0.0006642 | Pa×s | 355.00 | Calculated Property |
| η | 0.0004870 | Pa×s | 381.75 | Calculated Property |
| η | 0.0003719 | Pa×s | 408.50 | Calculated Property |
| η | 0.0002935 | Pa×s | 435.24 | Calculated Property |
| η | 0.0002381 | Pa×s | 461.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Undecane, 4-ethyl-.
Sources
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