- InChI
- InChI=1S/C14H25NO3/c1-10(15(4)11(2)16)14(18-12(3)17)13-8-6-5-7-9-13/h10,13-14H,5-9H2,1-4H3
- InChI Key
- ADGGRUXJCZVDGO-UHFFFAOYSA-N
- Formula
- C14H25NO3
- SMILES
-
CC(=O)OC(C1CCCCC1)C(C)N(C)C(C)
=O - Molecular Weight1
- 255.35
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -165.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -578.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.36 | kJ/mol | Joback Calculated Property |
| log10WS | -2.77 | Crippen Calculated Property | |
| logPoct/wat | 2.365 | Crippen Calculated Property | |
| McVol | 216.250 | ml/mol | McGowan Calculated Property |
| Pc | 2003.70 | kPa | Joback Calculated Property |
| Inp | [1915.00; 1915.00] |
|
|
| Inp | 1915.00 | NIST | |
| Inp | 1915.00 | NIST | |
| Tboil | 680.99 | K | Joback Calculated Property |
| Tc | 886.95 | K | Joback Calculated Property |
| Tfus | 379.48 | K | Joback Calculated Property |
| Vc | 0.788 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [627.97; 725.41] | J/mol×K | [680.99; 886.95] |
|
| Cp,gas | 627.97 | J/mol×K | 680.99 | Joback Calculated Property |
| Cp,gas | 647.13 | J/mol×K | 715.32 | Joback Calculated Property |
| Cp,gas | 665.08 | J/mol×K | 749.64 | Joback Calculated Property |
| Cp,gas | 681.85 | J/mol×K | 783.97 | Joback Calculated Property |
| Cp,gas | 697.48 | J/mol×K | 818.30 | Joback Calculated Property |
| Cp,gas | 711.98 | J/mol×K | 852.62 | Joback Calculated Property |
| Cp,gas | 725.41 | J/mol×K | 886.95 | Joback Calculated Property |
Similar Compounds
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Sources
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