- InChI
- InChI=1S/C13H25NO4/c1-6-8-11(14-13(16)17-7-2)12(15)18-10(5)9(3)4/h9-11H,6-8H2,1-5H3,(H,14,16)/t10-,11?/m1/s1
- InChI Key
- SDTGTNCCGSTRES-NFJWQWPMSA-N
- Formula
- C13H25NO4
- SMILES
- CCCC(NC(=O)OCC)C(=O)OC(C)C(C)C
- Molecular Weight1
- 259.34
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7166 | Relay (1.0) Calculated Property | |
| ΔfG° | -327.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -963.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.489 | Crippen Calculated Property | |
| McVol | 218.890 | ml/mol | McGowan Calculated Property |
| Pc | 1830.98 | kPa | Joback Calculated Property |
| Inp | [1605.50; 1617.40] |
|
|
| Inp | 1605.50 | NIST | |
| Inp | 1617.40 | NIST | |
| Inp | 1605.50 | NIST | |
| Tboil | 542.36 | K | Relay (1.0) Calculated Property |
| Tc | 722.28 | K | Relay (1.0) Calculated Property |
| Tfus | 287.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.797 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [627.16; 708.21] | J/mol×K | [698.27; 885.10] |
|
| Cp,gas | 627.16 | J/mol×K | 698.27 | Joback Calculated Property |
| Cp,gas | 642.73 | J/mol×K | 729.41 | Joback Calculated Property |
| Cp,gas | 657.47 | J/mol×K | 760.55 | Joback Calculated Property |
| Cp,gas | 671.38 | J/mol×K | 791.68 | Joback Calculated Property |
| Cp,gas | 684.47 | J/mol×K | 822.82 | Joback Calculated Property |
| Cp,gas | 696.74 | J/mol×K | 853.96 | Joback Calculated Property |
| Cp,gas | 708.21 | J/mol×K | 885.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Norvaline, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester.
Sources
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