- InChI
- InChI=1S/C13H28O/c1-4-5-6-7-8-9-10-11-12-14-13(2)3/h13H,4-12H2,1-3H3
- InChI Key
- GMABTASVJDBTFW-UHFFFAOYSA-N
- Formula
- C13H28O
- SMILES
- CCCCCCCCCCOC(C)C
- Molecular Weight1
- 200.37
- 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 | 0.6342 | Relay (1.0) Calculated Property | |
| ΔfG° | -48.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -455.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.552 | Crippen Calculated Property | |
| McVol | 199.900 | ml/mol | McGowan Calculated Property |
| Pc | 1632.49 | kPa | Joback Calculated Property |
| Inp | [1327.00; 1327.00] |
|
|
| Inp | 1327.00 | NIST | |
| Inp | 1327.00 | NIST | |
| Tboil | 493.48 | K | Relay (1.0) Calculated Property |
| Tc | 659.87 | K | Relay (1.0) Calculated Property |
| Tfus | 241.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.784 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [296.35; 709.05] | 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 | 1.48890e+01 | |||
| Coefficient B | 1.18156e+00 | |||
| Coefficient C | -5.75600e-04 | |||
| Coefficient D | 8.82000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 296.35 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 364.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 426.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 483.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 533.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 578.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 618.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 652.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 683.15 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 709.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0061567; 0.0002032] | Pa×s | [243.50; 477.61] |
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 | -1.20489e+01 | |||
| Coefficient B | 1.69443e+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. | 243.50 | |||
| Temperature range, max. | 477.61 | |||
| η | 0.0061567 | Pa×s | 243.50 | Calculated Property |
| η | 0.0031453 | Pa×s | 269.51 | Calculated Property |
| η | 0.0018085 | Pa×s | 295.53 | Calculated Property |
| η | 0.0011373 | Pa×s | 321.54 | Calculated Property |
| η | 0.0007666 | Pa×s | 347.55 | Calculated Property |
| η | 0.0005459 | Pa×s | 373.56 | Calculated Property |
| η | 0.0004064 | Pa×s | 399.58 | Calculated Property |
| η | 0.0003136 | Pa×s | 425.59 | Calculated Property |
| η | 0.0002493 | Pa×s | 451.60 | Calculated Property |
| η | 0.0002032 | Pa×s | 477.61 | Calculated Property |
Similar Compounds
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Sources
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