- InChI
- InChI=1S/C6H14O/c1-6(2,3)5-7-4/h5H2,1-4H3
- InChI Key
- JILHZKWLEAKYRC-UHFFFAOYSA-N
- Formula
- C6H14O
- SMILES
- COCC(C)(C)C
- Molecular Weight1
- 102.18
- Other Names
-
- Ether, methyl neopentyl
- (CH3)3CCH2OCH3
- Neopentyl methyl ether
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 825.80 | kJ/mol | NIST |
| BasG | 796.70 | kJ/mol | NIST |
| ΔfusH° | 5.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.30; 9.64] | eV |
|
| IE | 9.30 ± 0.05 | eV | NIST |
| IE | 9.64 ± 0.05 | eV | NIST |
| IE | 9.41 | eV | NIST |
| logPoct/wat | 1.679 | Crippen Calculated Property | |
| McVol | 101.270 | ml/mol | McGowan Calculated Property |
| Pc | 3114.04 | kPa | Joback Calculated Property |
| Tboil | 344.81 | K | Relay (1.0) Calculated Property |
| Tc | 517.60 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.43; 245.69] | J/mol×K | [355.87; 531.48] |
|
| Cp,gas | 182.43 | J/mol×K | 355.87 | Joback Calculated Property |
| Cp,gas | 194.11 | J/mol×K | 385.14 | Joback Calculated Property |
| Cp,gas | 205.32 | J/mol×K | 414.41 | Joback Calculated Property |
| Cp,gas | 216.07 | J/mol×K | 443.68 | Joback Calculated Property |
| Cp,gas | 226.37 | J/mol×K | 472.94 | Joback Calculated Property |
| Cp,gas | 236.25 | J/mol×K | 502.21 | Joback Calculated Property |
| Cp,gas | 245.69 | J/mol×K | 531.48 | Joback Calculated Property |
| η | [0.0002612; 0.0072406] | Pa×s | [182.03; 355.87] |
|
| η | 0.0072406 | Pa×s | 182.03 | Joback Calculated Property |
| η | 0.0028457 | Pa×s | 211.00 | Joback Calculated Property |
| η | 0.0014013 | Pa×s | 239.98 | Joback Calculated Property |
| η | 0.0008039 | Pa×s | 268.95 | Joback Calculated Property |
| η | 0.0005138 | Pa×s | 297.92 | Joback Calculated Property |
| η | 0.0003555 | Pa×s | 326.90 | Joback Calculated Property |
| η | 0.0002612 | Pa×s | 355.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1-methoxy-2,2-dimethyl-.
Sources
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