- InChI
- InChI=1S/C13H25NO3/c1-4-6-8-9-12(15)14(3)11-13(16)17-10-7-5-2/h4-11H2,1-3H3
- InChI Key
- MJGCSNIONZRIJI-UHFFFAOYSA-N
- Formula
- C13H25NO3
- SMILES
- CCCCCC(=O)N(C)CC(=O)OCCCC
- 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 | 0.7625 | Relay (1.0) Calculated Property | |
| ΔfG° | -193.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -717.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.368 | Crippen Calculated Property | |
| McVol | 213.020 | ml/mol | McGowan Calculated Property |
| Pc | 1796.98 | kPa | Joback Calculated Property |
| Inp | 1812.00 | NIST | |
| Tboil | 557.83 | K | Relay (1.0) Calculated Property |
| Tc | 735.45 | K | Relay (1.0) Calculated Property |
| Tfus | 254.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.812 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [579.23; 662.39] | J/mol×K | [639.44; 814.93] | 
|
| Cp,gas | 579.23 | J/mol×K | 639.44 | Joback Calculated Property |
| Cp,gas | 594.88 | J/mol×K | 668.69 | Joback Calculated Property |
| Cp,gas | 609.79 | J/mol×K | 697.94 | Joback Calculated Property |
| Cp,gas | 623.98 | J/mol×K | 727.18 | Joback Calculated Property |
| Cp,gas | 637.47 | J/mol×K | 756.43 | Joback Calculated Property |
| Cp,gas | 650.27 | J/mol×K | 785.68 | Joback Calculated Property |
| Cp,gas | 662.39 | J/mol×K | 814.93 | Joback Calculated Property |
Similar Compounds
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Sources
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