- InChI
- InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h6-9H,5H2,1-4H3/b10-6-
- InChI Key
- IOLQAHFPDADCHJ-POHAHGRESA-N
- Formula
- C10H18O
- SMILES
- CC(C)CC=C(C=O)C(C)C
- Molecular Weight1
- 154.25
- CAS
- 35158-25-9
- Other Names
-
- 2-Isopropyl-5-methyl-2-hexenal
- 2-Hexenal, 5-methyl-2-(1-methylethyl)-
- 2-Hexen-1-al, 2-isopropyl-5-methyl-
- 2-Hexen-1-al, 5-methyl-2-(1-methylethyl)-
- Isodihydrolavandulyl aldehyde
- 2-Isopropyl-5-methyl-2-hexen-1-al
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4159 | Relay (... Calculated Property | |
| ΔfG° | 0.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -260.32 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.38 | kJ/mol | Relay (... Calculated Property |
| IE | 9.27 | eV | Relay (... Calculated Property |
| log10WS | -3.35 | Relay (... Calculated Property | |
| logPoct/wat | 2.814 | Crippen Calculated Property | |
| McVol | 149.030 | ml/mol | McGowan Calculated Property |
| Pc | 2424.27 | kPa | Joback Calculated Property |
| Inp | [1094.00; 1119.00] |
|
|
| Inp | 1100.00 | NIST | |
| Inp | 1106.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | 1106.00 | NIST | |
| Inp | 1119.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1106.00 | NIST | |
| I | [1373.00; 1378.00] |
|
|
| I | 1378.00 | NIST | |
| I | 1373.00 | NIST | |
| I | 1373.00 | NIST | |
| I | 1373.00 | NIST | |
| Tboil | 456.94 | K | Relay (... Calculated Property |
| Tc | 648.35 | K | Relay (... Calculated Property |
| Tfus | 227.68 | K | Relay (... Calculated Property |
| Vc | 0.531 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.28; 404.58] | J/mol×K | [480.02; 667.13] |
|
| Cp,gas | 326.28 | J/mol×K | 480.02 | Joback Calculated Property |
| Cp,gas | 341.03 | J/mol×K | 511.21 | Joback Calculated Property |
| Cp,gas | 355.07 | J/mol×K | 542.39 | Joback Calculated Property |
| Cp,gas | 368.41 | J/mol×K | 573.58 | Joback Calculated Property |
| Cp,gas | 381.09 | J/mol×K | 604.76 | Joback Calculated Property |
| Cp,gas | 393.14 | J/mol×K | 635.95 | Joback Calculated Property |
| Cp,gas | 404.58 | J/mol×K | 667.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Isopropyl-5-methylhex-2-enal.
Sources
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