- InChI
- InChI=1S/C10H20O/c1-9(2,3)7-8(11)10(4,5)6/h7H2,1-6H3
- InChI Key
- XUXJQANAPZHLMK-UHFFFAOYSA-N
- Formula
- C10H20O
- SMILES
- CC(C)(C)CC(=O)C(C)(C)C
- Molecular Weight1
- 156.27
- CAS
- 868-91-7
- Other Names
-
- Neopentyl t-butyl ketone
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -6350.70 ± 2.30 | kJ/mol | NIST |
| ΔfG° | -89.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -393.90 ± 2.30 | kJ/mol | NIST |
| ΔfH°liquid | -442.70 ± 2.30 | kJ/mol | NIST |
| ΔfusH° | 8.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [48.79; 48.80] | kJ/mol |
|
| ΔvapH° | 48.79 | kJ/mol | NIST |
| ΔvapH° | 48.79 ± 0.19 | kJ/mol | NIST |
| ΔvapH° | 48.80 ± 0.20 | kJ/mol | NIST |
| log10WS | -2.81 | Crippen Calculated Property | |
| logPoct/wat | 3.038 | Crippen Calculated Property | |
| McVol | 153.330 | ml/mol | McGowan Calculated Property |
| Pc | 2318.07 | kPa | Joback Calculated Property |
| Tboil | [434.00; 436.00] | K |
|
| Tboil | 434.00 ± 4.00 | K | NIST |
| Tboil | 436.00 ± 4.00 | K | NIST |
| Tc | 670.36 | K | Joback Calculated Property |
| Tfus | 257.23 | K | Joback Calculated Property |
| Vc | 0.580 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.18; 434.87] | J/mol×K | [475.61; 670.36] |
|
| Cp,gas | 347.18 | J/mol×K | 475.61 | Joback Calculated Property |
| Cp,gas | 364.13 | J/mol×K | 508.07 | Joback Calculated Property |
| Cp,gas | 380.09 | J/mol×K | 540.53 | Joback Calculated Property |
| Cp,gas | 395.09 | J/mol×K | 572.98 | Joback Calculated Property |
| Cp,gas | 409.18 | J/mol×K | 605.44 | Joback Calculated Property |
| Cp,gas | 422.43 | J/mol×K | 637.90 | Joback Calculated Property |
| Cp,gas | 434.87 | J/mol×K | 670.36 | Joback Calculated Property |
| η | [0.0002645; 0.0090525] | Pa×s | [257.23; 475.61] |
|
| η | 0.0090525 | Pa×s | 257.23 | Joback Calculated Property |
| η | 0.0034877 | Pa×s | 293.63 | Joback Calculated Property |
| η | 0.0016583 | Pa×s | 330.02 | Joback Calculated Property |
| η | 0.0009140 | Pa×s | 366.42 | Joback Calculated Property |
| η | 0.0005610 | Pa×s | 402.82 | Joback Calculated Property |
| η | 0.0003734 | Pa×s | 439.21 | Joback Calculated Property |
| η | 0.0002645 | Pa×s | 475.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,5,5-Tetramethyl-3-hexanone.
Sources
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