- InChI
- InChI=1S/C8H16O/c1-4-5-6-8(2,3)7-9/h7H,4-6H2,1-3H3
- InChI Key
- PGEITMLMCONAGQ-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- CCCCC(C)(C)C=O
- Molecular Weight1
- 128.21
- CAS
- 996-12-3
- Other Names
-
- 2,2-Dimethyl-n-hexanal
- 2,2-Dimethylhexanal
- 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).
- 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).
- Pvap : Vapor pressure (kPa).
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -80.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -302.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.83 | kJ/mol | Joback Calculated Property |
| log10WS | -2.21 | Crippen Calculated Property | |
| logPoct/wat | 2.402 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 2790.61 | kPa | Joback Calculated Property |
| I | 1452.00 | NIST | |
| Tboil | 427.87 | K | Joback Calculated Property |
| Tc | 609.54 | K | Joback Calculated Property |
| Tfus | 224.34 | K | Joback Calculated Property |
| Vc | 0.489 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.85; 330.03] | J/mol×K | [427.87; 609.54] | 
|
| Cp,gas | 258.85 | J/mol×K | 427.87 | Joback Calculated Property |
| Cp,gas | 272.30 | J/mol×K | 458.15 | Joback Calculated Property |
| Cp,gas | 285.08 | J/mol×K | 488.43 | Joback Calculated Property |
| Cp,gas | 297.22 | J/mol×K | 518.71 | Joback Calculated Property |
| Cp,gas | 308.74 | J/mol×K | 548.98 | Joback Calculated Property |
| Cp,gas | 319.67 | J/mol×K | 579.26 | Joback Calculated Property |
| Cp,gas | 330.03 | J/mol×K | 609.54 | Joback Calculated Property |
| η | [0.0003322; 0.0079397] | Pa×s | [224.34; 427.87] |
|
| η | 0.0079397 | Pa×s | 224.34 | Joback Calculated Property |
| η | 0.0033052 | Pa×s | 258.26 | Joback Calculated Property |
| η | 0.0016864 | Pa×s | 292.18 | Joback Calculated Property |
| η | 0.0009897 | Pa×s | 326.11 | Joback Calculated Property |
| η | 0.0006422 | Pa×s | 360.03 | Joback Calculated Property |
| η | 0.0004490 | Pa×s | 393.95 | Joback Calculated Property |
| η | 0.0003322 | Pa×s | 427.87 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [328.92; 468.06] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49596e+01 | |||
| Coefficient B | -3.92059e+03 | |||
| Coefficient C | -6.17050e+01 | |||
| Temperature range, min. | 328.92 | |||
| Temperature range, max. | 468.06 | |||
| Pvap | 1.33 | kPa | 328.92 | Calculated Property |
| Pvap | 2.97 | kPa | 344.38 | Calculated Property |
| Pvap | 6.11 | kPa | 359.84 | Calculated Property |
| Pvap | 11.68 | kPa | 375.30 | Calculated Property |
| Pvap | 21.01 | kPa | 390.76 | Calculated Property |
| Pvap | 35.86 | kPa | 406.22 | Calculated Property |
| Pvap | 58.46 | kPa | 421.68 | Calculated Property |
| Pvap | 91.55 | kPa | 437.14 | Calculated Property |
| Pvap | 138.36 | kPa | 452.60 | Calculated Property |
| Pvap | 202.64 | kPa | 468.06 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexanal, 2,2-dimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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