- InChI
- InChI=1S/C14H27NO4/c1-7-10(5)12(15-14(17)18-8-2)13(16)19-11(6)9(3)4/h9-12H,7-8H2,1-6H3,(H,15,17)/t10?,11-,12?/m1/s1
- InChI Key
- CBNGHOBZNGEELV-MOENNCHZSA-N
- Formula
- C14H27NO4
- SMILES
-
CCOC(=O)NC(C(=O)OC(C)C(C)C)C(C
)CC - Molecular Weight1
- 273.37
- 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 | 0.7064 | Relay (1.0) Calculated Property | |
| ΔfG° | -321.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -996.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.735 | Crippen Calculated Property | |
| McVol | 232.980 | ml/mol | McGowan Calculated Property |
| Pc | 1700.50 | kPa | Joback Calculated Property |
| Inp | [1647.40; 1671.10] |
|
|
| Inp | 1647.40 | NIST | |
| Inp | 1671.10 | NIST | |
| Inp | 1647.40 | NIST | |
| Tboil | 543.08 | K | Relay (1.0) Calculated Property |
| Tc | 732.18 | K | Relay (1.0) Calculated Property |
| Tfus | 300.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.834 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [682.96; 766.65] | J/mol×K | [720.71; 909.23] |
|
| Cp,gas | 682.96 | J/mol×K | 720.71 | Joback Calculated Property |
| Cp,gas | 699.14 | J/mol×K | 752.13 | Joback Calculated Property |
| Cp,gas | 714.43 | J/mol×K | 783.55 | Joback Calculated Property |
| Cp,gas | 728.81 | J/mol×K | 814.97 | Joback Calculated Property |
| Cp,gas | 742.31 | J/mol×K | 846.39 | Joback Calculated Property |
| Cp,gas | 754.92 | J/mol×K | 877.81 | Joback Calculated Property |
| Cp,gas | 766.65 | J/mol×K | 909.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Isoleucine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester.
Sources
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