- InChI
- InChI=1S/C7H14O/c1-4-6(2)7(3)5-8/h5-7H,4H2,1-3H3
- InChI Key
- BOHKXQAJUVXBDQ-UHFFFAOYSA-N
- Formula
- C7H14O
- SMILES
- CCC(C)C(C)C=O
- Molecular Weight1
- 114.19
- CAS
- 32749-94-3
- Other Names
-
- 2,3-Dimethylpentaldehyde
- 2,3-Dimethylpentanal
- 2,3-Dimethylvaleraldehyde
- Butanal, 3-ethyl-2-methyl
- Valeraldehyde, 2,3-dimethyl-
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3742 | Relay (1.0) Calculated Property | |
| ΔfG° | -96.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -288.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.868 | Crippen Calculated Property | |
| McVol | 111.060 | ml/mol | McGowan Calculated Property |
| Pc | 3086.42 | kPa | Joback Calculated Property |
| I | [1258.00; 1258.00] |
|
|
| I | 1258.00 | NIST | |
| I | 1258.00 | NIST | |
| Tboil | 396.67 | K | Relay (1.0) Calculated Property |
| Tc | 591.87 | K | Relay (1.0) Calculated Property |
| Tfus | 218.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.387 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.96; 280.30] | J/mol×K | [407.34; 587.04] |
|
| Cp,gas | 216.96 | J/mol×K | 407.34 | Joback Calculated Property |
| Cp,gas | 228.67 | J/mol×K | 437.29 | Joback Calculated Property |
| Cp,gas | 239.91 | J/mol×K | 467.24 | Joback Calculated Property |
| Cp,gas | 250.68 | J/mol×K | 497.19 | Joback Calculated Property |
| Cp,gas | 260.99 | J/mol×K | 527.14 | Joback Calculated Property |
| Cp,gas | 270.87 | J/mol×K | 557.09 | Joback Calculated Property |
| Cp,gas | 280.30 | J/mol×K | 587.04 | Joback Calculated Property |
| η | [0.0002974; 0.0134730] | Pa×s | [180.65; 407.34] |
|
| η | 0.0134730 | Pa×s | 180.65 | Joback Calculated Property |
| η | 0.0041185 | Pa×s | 218.43 | Joback Calculated Property |
| η | 0.0017858 | Pa×s | 256.21 | Joback Calculated Property |
| η | 0.0009598 | Pa×s | 294.00 | Joback Calculated Property |
| η | 0.0005942 | Pa×s | 331.78 | Joback Calculated Property |
| η | 0.0004058 | Pa×s | 369.56 | Joback Calculated Property |
| η | 0.0002974 | Pa×s | 407.34 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [308.12; 443.59] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47179e+01 | |||
| Coefficient B | -3.66015e+03 | |||
| Coefficient C | -5.44770e+01 | |||
| Temperature range, min. | 308.12 | |||
| Temperature range, max. | 443.59 | |||
| Pvap | 1.33 | kPa | 308.12 | Calculated Property |
| Pvap | 2.99 | kPa | 323.17 | Calculated Property |
| Pvap | 6.16 | kPa | 338.22 | Calculated Property |
| Pvap | 11.80 | kPa | 353.28 | Calculated Property |
| Pvap | 21.24 | kPa | 368.33 | Calculated Property |
| Pvap | 36.22 | kPa | 383.38 | Calculated Property |
| Pvap | 58.94 | kPa | 398.43 | Calculated Property |
| Pvap | 92.09 | kPa | 413.49 | Calculated Property |
| Pvap | 138.79 | kPa | 428.54 | Calculated Property |
| Pvap | 202.66 | kPa | 443.59 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanal, 2,3-dimethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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