- InChI
- InChI=1S/C10H18N2O3/c1-6(2)8(10(14)15)12-9(13)7-4-3-5-11-7/h6-8,11H,3-5H2,1-2H3,(H,12,13)(H,14,15)
- InChI Key
- AWJGUZSYVIVZGP-UHFFFAOYSA-N
- Formula
- C10H18N2O3
- SMILES
- CC(C)C(NC(=O)C1CCCN1)C(=O)O
- Molecular Weight1
- 214.26
- CAS
- 52899-09-9
- BasG : Gas basicity (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).
- 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 |
|---|---|---|---|
| BasG | 909.00 | kJ/mol | NIST |
| ΔfG° | -152.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -485.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.70 | kJ/mol | Joback Calculated Property |
| log10WS | -1.14 | Crippen Calculated Property | |
| logPoct/wat | -0.036 | Crippen Calculated Property | |
| McVol | 169.870 | ml/mol | McGowan Calculated Property |
| Pc | 3356.75 | kPa | Joback Calculated Property |
| Tboil | 741.24 | K | Joback Calculated Property |
| Tc | 947.94 | K | Joback Calculated Property |
| Tfus | 501.73 | K | Joback Calculated Property |
| Vc | 0.627 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [507.50; 572.44] | J/mol×K | [741.24; 947.94] | 
|
| Cp,gas | 507.50 | J/mol×K | 741.24 | Joback Calculated Property |
| Cp,gas | 520.40 | J/mol×K | 775.69 | Joback Calculated Property |
| Cp,gas | 532.43 | J/mol×K | 810.14 | Joback Calculated Property |
| Cp,gas | 543.62 | J/mol×K | 844.59 | Joback Calculated Property |
| Cp,gas | 554.00 | J/mol×K | 879.04 | Joback Calculated Property |
| Cp,gas | 563.60 | J/mol×K | 913.49 | Joback Calculated Property |
| Cp,gas | 572.44 | J/mol×K | 947.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to pro-val.
Sources
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