- InChI
- InChI=1S/C11H24O/c1-5-6-7-8-9-10-12-11(2,3)4/h5-10H2,1-4H3
- InChI Key
- TYSCUIJRFGVUDM-UHFFFAOYSA-N
- Formula
- C11H24O
- SMILES
- CCCCCCCOC(C)(C)C
- Molecular Weight1
- 172.31
- CAS
- 78972-97-1
- 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 | 0.5169 | Relay (1.0) Calculated Property | |
| ΔfG° | -60.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -418.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.60 | kJ/mol | NIST |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.772 | Crippen Calculated Property | |
| McVol | 171.720 | ml/mol | McGowan Calculated Property |
| Pc | 1937.24 | kPa | Joback Calculated Property |
| Tboil | 454.97 | K | Relay (1.0) Calculated Property |
| Tc | 621.60 | K | Relay (1.0) Calculated Property |
| Tfus | 202.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.665 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [252.78; 606.80] | 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 | -6.08400e+00 | |||
| Coefficient B | 1.11148e+00 | |||
| Coefficient C | -6.35400e-04 | |||
| Coefficient D | 1.36800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 252.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 313.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 368.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 416.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 459.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 497.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 530.79 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 559.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 584.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 606.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0065180; 0.0002255] | Pa×s | [238.38; 449.19] |
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 | -1.22017e+01 | |||
| Coefficient B | 1.70883e+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. | 238.38 | |||
| Temperature range, max. | 449.19 | |||
| η | 0.0065180 | Pa×s | 238.38 | Calculated Property |
| η | 0.0034323 | Pa×s | 261.80 | Calculated Property |
| η | 0.0020082 | Pa×s | 285.23 | Calculated Property |
| η | 0.0012745 | Pa×s | 308.65 | Calculated Property |
| η | 0.0008625 | Pa×s | 332.07 | Calculated Property |
| η | 0.0006145 | Pa×s | 355.49 | Calculated Property |
| η | 0.0004565 | Pa×s | 378.92 | Calculated Property |
| η | 0.0003511 | Pa×s | 402.34 | Calculated Property |
| η | 0.0002779 | Pa×s | 425.76 | Calculated Property |
| η | 0.0002255 | Pa×s | 449.19 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptyl tert-butyl ether.
Sources
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