- InChI
- InChI=1S/C15H29NO3/c1-4-5-6-7-8-9-10-11-12-16(3)15(18)13-19-14(2)17/h4-13H2,1-3H3
- InChI Key
- SNYDHKLVMRLVQV-UHFFFAOYSA-N
- Formula
- C15H29NO3
- SMILES
- CCCCCCCCCCN(C)C(=O)COC(C)=O
- Molecular Weight1
- 271.40
- 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 | 0.8325 | Relay (1.0) Calculated Property | |
| ΔfG° | -253.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -761.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.149 | Crippen Calculated Property | |
| McVol | 241.200 | ml/mol | McGowan Calculated Property |
| Pc | 1488.44 | kPa | Joback Calculated Property |
| Inp | [2015.00; 2015.00] |
|
|
| Inp | 2015.00 | NIST | |
| Inp | 2015.00 | NIST | |
| Tboil | 575.82 | K | Relay (1.0) Calculated Property |
| Tc | 759.34 | K | Relay (1.0) Calculated Property |
| Tfus | 306.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.926 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [356.46; 828.35] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.13300e+01 | |||
| Coefficient B | 1.46996e+00 | |||
| Coefficient C | -7.91500e-04 | |||
| Coefficient D | 1.38560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 356.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 438.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 512.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 577.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 635.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 686.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 730.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 769.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 801.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 828.35 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
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Sources
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