- InChI
- InChI=1S/C13H20O/c1-11(2)4-3-5-12-6-8-13(10-14)9-7-12/h4,6,10,13H,3,5,7-9H2,1-2H3
- InChI Key
- MQBIZQLCHSZBOI-UHFFFAOYSA-N
- Formula
- C13H20O
- SMILES
- CC(C)=CCCC1=CCC(C=O)CC1
- Molecular Weight1
- 192.30
- CAS
- 37677-14-8
- Other Names
-
- Myrac aldehyde 2
- 4-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carbaldehyde
- 3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)-
- 4-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde
- 1-Formyl-4-isohexenyl-4-cyclohexene
- p-Myrac aldehyde
- Myrac aldehyde
- Emfetal
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 75.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -189.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.67 | kJ/mol | Joback Calculated Property |
| log10WS | -3.90 | Crippen Calculated Property | |
| logPoct/wat | 3.658 | Crippen Calculated Property | |
| McVol | 176.140 | ml/mol | McGowan Calculated Property |
| Pc | 2248.26 | kPa | Joback Calculated Property |
| Inp | [1497.30; 1509.00] |
|
|
| Inp | 1497.30 | NIST | |
| Inp | 1509.00 | NIST | |
| Inp | 1497.30 | NIST | |
| Inp | 1509.00 | NIST | |
| I | [1978.00; 1978.00] |
|
|
| I | 1978.00 | NIST | |
| I | 1978.00 | NIST | |
| Tboil | 573.23 | K | Joback Calculated Property |
| Tc | 781.91 | K | Joback Calculated Property |
| Tfus | 279.89 | K | Joback Calculated Property |
| Vc | 0.680 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [438.64; 533.39] | J/mol×K | [573.23; 781.91] |
|
| Cp,gas | 438.64 | J/mol×K | 573.23 | Joback Calculated Property |
| Cp,gas | 456.92 | J/mol×K | 608.01 | Joback Calculated Property |
| Cp,gas | 474.14 | J/mol×K | 642.79 | Joback Calculated Property |
| Cp,gas | 490.35 | J/mol×K | 677.57 | Joback Calculated Property |
| Cp,gas | 505.60 | J/mol×K | 712.35 | Joback Calculated Property |
| Cp,gas | 519.93 | J/mol×K | 747.13 | Joback Calculated Property |
| Cp,gas | 533.39 | J/mol×K | 781.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-pentenyl)-.
Sources
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