- InChI
- InChI=1S/C10H16N2O4/c1-5(2)10(4-6(3)13)7(14)11-9(16)12-8(10)15/h5-6,13H,4H2,1-3H3,(H2,11,12,14,15,16)
- InChI Key
- PKMMAWVSVCNKLQ-UHFFFAOYSA-N
- Formula
- C10H16N2O4
- SMILES
-
CC(O)CC1(C(C)C)C(=O)NC(=O)NC1=
O - Molecular Weight1
- 228.25
- 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.
- 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° | -281.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -680.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.29 | kJ/mol | Joback Calculated Property |
| log10WS | -1.48 | Crippen Calculated Property | |
| logPoct/wat | -0.234 | Crippen Calculated Property | |
| McVol | 171.440 | ml/mol | McGowan Calculated Property |
| Pc | 3607.21 | kPa | Joback Calculated Property |
| Inp | [1770.00; 1770.00] |
|
|
| Inp | 1770.00 | NIST | |
| Inp | 1770.00 | NIST | |
| Tboil | 839.85 | K | Joback Calculated Property |
| Tc | 1080.60 | K | Joback Calculated Property |
| Tfus | 679.28 | K | Joback Calculated Property |
| Vc | 0.628 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [551.59; 630.16] | J/mol×K | [839.85; 1080.60] |
|
| Cp,gas | 551.59 | J/mol×K | 839.85 | Joback Calculated Property |
| Cp,gas | 566.80 | J/mol×K | 879.98 | Joback Calculated Property |
| Cp,gas | 581.16 | J/mol×K | 920.10 | Joback Calculated Property |
| Cp,gas | 594.66 | J/mol×K | 960.23 | Joback Calculated Property |
| Cp,gas | 607.33 | J/mol×K | 1000.35 | Joback Calculated Property |
| Cp,gas | 619.16 | J/mol×K | 1040.48 | Joback Calculated Property |
| Cp,gas | 630.16 | J/mol×K | 1080.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propallylonal M (des-Br, OH).
Sources
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