- InChI
- InChI=1S/C8H17NO/c1-4-7-8(10)9(5-2)6-3/h4-7H2,1-3H3
- InChI Key
- CDQSTBHGKNNPSY-UHFFFAOYSA-N
- Formula
- C8H17NO
- SMILES
- CCCC(=O)N(CC)CC
- Molecular Weight1
- 143.23
- CAS
- 1114-76-7
- Other Names
-
- Butanamide, N,N-diethyl-
- Butyramide, N,N-diethyl-
- N,N-Diethyl-n-butyramide
- N,N-Diethylbutanamide
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4891 | Relay (1.0) Calculated Property | |
| ΔfG° | -1.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -328.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.655 | Crippen Calculated Property | |
| McVol | 135.130 | ml/mol | McGowan Calculated Property |
| Pc | 2698.60 | kPa | Joback Calculated Property |
| Tboil | 462.05 | K | Relay (1.0) Calculated Property |
| Tc | 652.32 | K | Relay (1.0) Calculated Property |
| Tfus | 228.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.510 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 38.70 | kJ/mol | 335.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 368.00 ± 1.00 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.63; 459.10] | 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 | -7.71600e+00 | |||
| Coefficient B | 8.59760e-01 | |||
| Coefficient C | -5.05300e-04 | |||
| Coefficient D | 1.12360e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 191.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 238.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 279.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 316.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 349.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 377.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 402.49 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 424.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 442.90 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 459.10 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to N,N-Diethylbutyramide.
Sources
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