- InChI
- InChI=1S/C13H25NO3/c1-4-5-6-7-10-17-12(15)8-9-14-13(16)11(2)3/h11H,4-10H2,1-3H3,(H,14,16)
- InChI Key
- RNHGEORTQJOUKK-UHFFFAOYSA-N
- Formula
- C13H25NO3
- SMILES
- CCCCCCOC(=O)CCNC(=O)C(C)C
- Molecular Weight1
- 243.34
- 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 | 0.7702 | Relay (1.0) Calculated Property | |
| ΔfG° | -217.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -766.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.272 | Crippen Calculated Property | |
| McVol | 213.020 | ml/mol | McGowan Calculated Property |
| Pc | 1832.54 | kPa | Joback Calculated Property |
| Inp | [1808.00; 1808.00] |
|
|
| Inp | 1808.00 | NIST | |
| Inp | 1808.00 | NIST | |
| Tboil | 554.32 | K | Relay (1.0) Calculated Property |
| Tc | 744.50 | K | Relay (1.0) Calculated Property |
| Tfus | 287.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.801 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [597.92; 678.67] | J/mol×K | [676.73; 858.60] |
|
| Cp,gas | 597.92 | J/mol×K | 676.73 | Joback Calculated Property |
| Cp,gas | 613.24 | J/mol×K | 707.04 | Joback Calculated Property |
| Cp,gas | 627.80 | J/mol×K | 737.35 | Joback Calculated Property |
| Cp,gas | 641.61 | J/mol×K | 767.67 | Joback Calculated Property |
| Cp,gas | 654.68 | J/mol×K | 797.98 | Joback Calculated Property |
| Cp,gas | 667.03 | J/mol×K | 828.29 | Joback Calculated Property |
| Cp,gas | 678.67 | J/mol×K | 858.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-isobutyryl-, hexyl ester.
Sources
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