- InChI
- InChI=1S/C7H11NO/c1-8(2)6-4-3-5-7-9/h3-7H,1-2H3/b5-3+,6-4+
- InChI Key
- MJPXUXNGHKYZIV-GGWOSOGESA-N
- Formula
- C7H11NO
- SMILES
- CN(C)C=CC=CC=O
- Molecular Weight1
- 125.17
- CAS
- 4688-60-2
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔsubH° : Enthalpy of sublimation 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -4199.00 ± 1.00 | kJ/mol | NIST |
| ΔfG° | 179.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -29.10 | kJ/mol | NIST |
| ΔfusH° | 19.60 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 99.04 ± 0.92 | kJ/mol | NIST |
| ΔvapH° | 39.86 | kJ/mol | Joback Calculated Property |
| log10WS | -0.81 | Crippen Calculated Property | |
| logPoct/wat | 0.817 | Crippen Calculated Property | |
| McVol | 112.440 | ml/mol | McGowan Calculated Property |
| Pc | 3403.91 | kPa | Joback Calculated Property |
| Tboil | 428.98 | K | Joback Calculated Property |
| Tc | 616.55 | K | Joback Calculated Property |
| Tfus | 232.96 | K | Joback Calculated Property |
| Vc | 0.422 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.15; 274.40] | J/mol×K | [428.98; 616.55] | 
|
| Cp,gas | 215.15 | J/mol×K | 428.98 | Joback Calculated Property |
| Cp,gas | 226.62 | J/mol×K | 460.24 | Joback Calculated Property |
| Cp,gas | 237.40 | J/mol×K | 491.50 | Joback Calculated Property |
| Cp,gas | 247.53 | J/mol×K | 522.77 | Joback Calculated Property |
| Cp,gas | 257.05 | J/mol×K | 554.03 | Joback Calculated Property |
| Cp,gas | 266.00 | J/mol×K | 585.29 | Joback Calculated Property |
| Cp,gas | 274.40 | J/mol×K | 616.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N,N-Dimethylamino-2,4-pentadiene-5-al.
Sources
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