- InChI
- InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3
- InChI Key
- FTZILAQGHINQQR-UHFFFAOYSA-N
- Formula
- C6H12O
- SMILES
- CCCC(C)C=O
- Molecular Weight1
- 100.16
- CAS
- 123-15-9
- Other Names
-
- 2-Formylpentane
- 2-Methyl-n-valeraldehyde
- 2-Methylpental
- 2-Methylpentaldehyde
- 2-Methylpentanal
- 2-Methylvaleraldehyde
- 2-Methylvaleric aldehyde
- NSC 49351
- UN 2367
- Valeraldehyde, 2-methyl-
- n-C3H7CH(CH3)CHO
- «alpha»-Methyl valeraldehyde
- «alpha»-Methylpentanal
- «alpha»-Methyl valeraldehyde
- «alpha»-Methylpentanal
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-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° | -102.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.28 | kJ/mol | Joback Calculated Property |
| IE | 9.70 | eV | NIST |
| log10WS | -1.37 | Crippen Calculated Property | |
| logPoct/wat | 1.621 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Pc | 3411.87 | kPa | Joback Calculated Property |
| Inp | [725.00; 791.00] |
|
|
| Inp | 736.00 | NIST | |
| Inp | 745.00 | NIST | |
| Inp | 745.80 | NIST | |
| Inp | 740.00 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | Outlier 791.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 746.00 | NIST | |
| Inp | 725.00 | NIST | |
| Inp | 725.00 | NIST | |
| Inp | 762.00 | NIST | |
| Inp | 736.00 | NIST | |
| Inp | 745.80 | NIST | |
| Inp | 777.00 | NIST | |
| Tboil | 384.90 | K | Joback Calculated Property |
| Tc | 561.39 | K | Joback Calculated Property |
| Tfus | 184.38 | K | Joback Calculated Property |
| Vc | 0.383 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [179.50; 234.32] | J/mol×K | [384.90; 561.39] |
|
| Cp,gas | 179.50 | J/mol×K | 384.90 | Joback Calculated Property |
| Cp,gas | 189.59 | J/mol×K | 414.32 | Joback Calculated Property |
| Cp,gas | 199.28 | J/mol×K | 443.73 | Joback Calculated Property |
| Cp,gas | 208.60 | J/mol×K | 473.15 | Joback Calculated Property |
| Cp,gas | 217.54 | J/mol×K | 502.56 | Joback Calculated Property |
| Cp,gas | 226.11 | J/mol×K | 531.98 | Joback Calculated Property |
| Cp,gas | 234.32 | J/mol×K | 561.39 | Joback Calculated Property |
| η | [0.0003084; 0.0070161] | Pa×s | [184.38; 384.90] |
|
| η | 0.0070161 | Pa×s | 184.38 | Joback Calculated Property |
| η | 0.0027952 | Pa×s | 217.80 | Joback Calculated Property |
| η | 0.0014226 | Pa×s | 251.22 | Joback Calculated Property |
| η | 0.0008484 | Pa×s | 284.64 | Joback Calculated Property |
| η | 0.0005641 | Pa×s | 318.06 | Joback Calculated Property |
| η | 0.0004053 | Pa×s | 351.48 | Joback Calculated Property |
| η | 0.0003084 | Pa×s | 384.90 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [293.82; 414.21] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55136e+01 | |||
| Coefficient B | -3.72256e+03 | |||
| Coefficient C | -4.93340e+01 | |||
| Temperature range, min. | 293.82 | |||
| Temperature range, max. | 414.21 | |||
| Pvap | 1.33 | kPa | 293.82 | Calculated Property |
| Pvap | 2.94 | kPa | 307.20 | Calculated Property |
| Pvap | 5.99 | kPa | 320.57 | Calculated Property |
| Pvap | 11.41 | kPa | 333.95 | Calculated Property |
| Pvap | 20.52 | kPa | 347.33 | Calculated Property |
| Pvap | 35.10 | kPa | 360.70 | Calculated Property |
| Pvap | 57.43 | kPa | 374.08 | Calculated Property |
| Pvap | 90.39 | kPa | 387.46 | Calculated Property |
| Pvap | 137.43 | kPa | 400.83 | Calculated Property |
| Pvap | 202.63 | kPa | 414.21 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanal, 2-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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