- InChI
- InChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3/t5-/m1/s1
- InChI Key
- DFOXKPDFWGNLJU-RXMQYKEDSA-N
- Formula
- C6H14O
- SMILES
- CC(O)C(C)(C)C
- Molecular Weight1
- 102.17
- CAS
- 1517-67-5
- 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 | 0.4945 | Relay (... Calculated Property | |
| ΔfG° | -136.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -360.78 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 4.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.29 | kJ/mol | Relay (... Calculated Property |
| IE | 9.81 | eV | Relay (... Calculated Property |
| log10WS | -0.64 | Relay (... Calculated Property | |
| logPoct/wat | 1.413 | Crippen Calculated Property | |
| McVol | 101.270 | ml/mol | McGowan Calculated Property |
| Pc | 3564.27 | kPa | Joback Calculated Property |
| Tboil | [392.65; 393.20] | K |
|
| Tboil | 393.20 ± 2.00 | K | NIST |
| Tboil | 392.65 ± 2.00 | K | NIST |
| Tc | 565.12 | K | Relay (... Calculated Property |
| Tfus | 280.83 | K | Relay (... Calculated Property |
| Vc | 0.362 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.06; 267.98] | J/mol×K | [425.19; 600.02] |
|
| Cp,gas | 210.06 | J/mol×K | 425.19 | Joback Calculated Property |
| Cp,gas | 220.98 | J/mol×K | 454.33 | Joback Calculated Property |
| Cp,gas | 231.37 | J/mol×K | 483.47 | Joback Calculated Property |
| Cp,gas | 241.24 | J/mol×K | 512.60 | Joback Calculated Property |
| Cp,gas | 250.62 | J/mol×K | 541.74 | Joback Calculated Property |
| Cp,gas | 259.53 | J/mol×K | 570.88 | Joback Calculated Property |
| Cp,gas | 267.98 | J/mol×K | 600.02 | Joback Calculated Property |
| η | [0.0002596; 0.3533787] | Pa×s | [205.62; 425.19] |
|
| η | 0.3533787 | Pa×s | 205.62 | Joback Calculated Property |
| η | 0.0427885 | Pa×s | 242.22 | Joback Calculated Property |
| η | 0.0090180 | Pa×s | 278.81 | Joback Calculated Property |
| η | 0.0027278 | Pa×s | 315.40 | Joback Calculated Property |
| η | 0.0010580 | Pa×s | 352.00 | Joback Calculated Property |
| η | 0.0004905 | Pa×s | 388.60 | Joback Calculated Property |
| η | 0.0002596 | Pa×s | 425.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to d-methyl-tert-butylcarbinol.
Sources
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