- InChI
- InChI=1S/C14H29NO2/c1-4-5-6-7-8-9-12-17-14(16)15-11-10-13(2)3/h13H,4-12H2,1-3H3,(H,15,16)
- InChI Key
- ODMTXLAOWIGNIA-UHFFFAOYSA-N
- Formula
- C14H29NO2
- SMILES
- CCCCCCCCOC(=O)NCCC(C)C
- Molecular Weight1
- 243.39
- 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 | 0.7981 | Relay (1.0) Calculated Property | |
| ΔfG° | -156.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -671.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.119 | Crippen Calculated Property | |
| McVol | 225.540 | ml/mol | McGowan Calculated Property |
| Pc | 1554.90 | kPa | Joback Calculated Property |
| Inp | [1784.00; 1784.00] |
|
|
| Inp | 1784.00 | NIST | |
| Inp | 1784.00 | NIST | |
| Tboil | 557.18 | K | Relay (1.0) Calculated Property |
| Tc | 746.69 | K | Relay (1.0) Calculated Property |
| Tfus | 255.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.853 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.68; 787.14] | 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 | 1.26790e+01 | |||
| Coefficient B | 1.36116e+00 | |||
| Coefficient C | -6.95000e-04 | |||
| Coefficient D | 1.08300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 334.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 412.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 481.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 544.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 600.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 649.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 692.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 729.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 760.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 787.14 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, monoamide, N-(3-methylbutyl)-, octyl ester.
Sources
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