- InChI
- InChI=1S/C15H27NO3/c1-4-5-6-7-8-11-19-15(18)9-10-16-14(17)12-13(2)3/h12H,4-11H2,1-3H3,(H,16,17)
- InChI Key
- LIIAZXYMSXEAJJ-UHFFFAOYSA-N
- Formula
- C15H27NO3
- SMILES
- CCCCCCCOC(=O)CCNC(=O)C=C(C)C
- Molecular Weight1
- 269.38
- 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° | -126.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -549.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.36 | kJ/mol | Joback Calculated Property |
| log10WS | -3.78 | Crippen Calculated Property | |
| logPoct/wat | 2.972 | Crippen Calculated Property | |
| McVol | 236.900 | ml/mol | McGowan Calculated Property |
| Pc | 1627.22 | kPa | Joback Calculated Property |
| Inp | 2084.00 | NIST | |
| Tboil | 726.97 | K | Joback Calculated Property |
| Tc | 912.58 | K | Joback Calculated Property |
| Tfus | 414.52 | K | Joback Calculated Property |
| Vc | 0.921 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [684.12; 766.05] | J/mol×K | [726.97; 912.58] | 
|
| Cp,gas | 684.12 | J/mol×K | 726.97 | Joback Calculated Property |
| Cp,gas | 699.73 | J/mol×K | 757.90 | Joback Calculated Property |
| Cp,gas | 714.52 | J/mol×K | 788.84 | Joback Calculated Property |
| Cp,gas | 728.52 | J/mol×K | 819.77 | Joback Calculated Property |
| Cp,gas | 741.76 | J/mol×K | 850.71 | Joback Calculated Property |
| Cp,gas | 754.26 | J/mol×K | 881.64 | Joback Calculated Property |
| Cp,gas | 766.05 | J/mol×K | 912.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(3-methylbut-2-enoyl)-, heptyl ester.
Sources
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