- 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [390.44; 481.65] | J/mol×K | [470.47; 641.69] | 
|
| Cp,gas | 390.44 | J/mol×K | 470.47 | Joback Calculated Property |
| Cp,gas | 407.33 | J/mol×K | 499.01 | Joback Calculated Property |
| Cp,gas | 423.52 | J/mol×K | 527.54 | Joback Calculated Property |
| Cp,gas | 439.03 | J/mol×K | 556.08 | Joback Calculated Property |
| Cp,gas | 453.88 | J/mol×K | 584.62 | Joback Calculated Property |
| Cp,gas | 468.08 | J/mol×K | 613.16 | Joback Calculated Property |
| Cp,gas | 481.65 | J/mol×K | 641.69 | Joback Calculated Property |
| η | [0.0001898; 0.0065180] | Pa×s | [238.38; 470.47] |
|
| η | 0.0065180 | Pa×s | 238.38 | Joback Calculated Property |
| η | 0.0023959 | Pa×s | 277.06 | Joback Calculated Property |
| η | 0.0011254 | Pa×s | 315.74 | Joback Calculated Property |
| η | 0.0006234 | Pa×s | 354.42 | Joback Calculated Property |
| η | 0.0003879 | Pa×s | 393.11 | Joback Calculated Property |
| η | 0.0002628 | Pa×s | 431.79 | Joback Calculated Property |
| η | 0.0001898 | Pa×s | 470.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptyl tert-butyl ether.
Sources
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