- InChI
- InChI=1S/C7H14O/c1-6(2)7(3)4-5-8/h5-7H,4H2,1-3H3
- InChI Key
- SZBNDYYJXRXQHA-UHFFFAOYSA-N
- Formula
- C7H14O
- SMILES
- CC(C)C(C)CC=O
- Molecular Weight1
- 114.19
- CAS
- 19353-21-0
- Other Names
-
- 3,4-Dimethylpentanal
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 |
|---|---|---|---|
| ΔfG° | -96.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -283.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.12 | kJ/mol | Joback Calculated Property |
| log10WS | -1.55 | Crippen Calculated Property | |
| logPoct/wat | 1.868 | Crippen Calculated Property | |
| McVol | 111.060 | ml/mol | McGowan Calculated Property |
| Pc | 3086.42 | kPa | Joback Calculated Property |
| Tboil | 407.34 | K | Joback Calculated Property |
| Tc | 587.04 | K | Joback Calculated Property |
| Tfus | 180.65 | K | Joback Calculated Property |
| Vc | 0.432 | m3/kmol | Joback 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 |
| Cp,liquid | 235.60 | J/mol×K | 323.15 | NIST |
| 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 |
| ΔvapH | 42.40 | kJ/mol | 368.00 | NIST |
Similar Compounds
Find more compounds similar to 3,4-dimethylvaleraldehyde.
Sources
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