- InChI
- InChI=1S/C6H13NO/c1-4-5-6(8)7(2)3/h4-5H2,1-3H3
- InChI Key
- VIJUZNJJLALGNJ-UHFFFAOYSA-N
- Formula
- C6H13NO
- SMILES
- CCCC(=O)N(C)C
- Molecular Weight1
- 115.17
- CAS
- 760-79-2
- Other Names
-
- Butanamide, N,N-dimethyl-
- Butyramide, N,N-dimethyl-
- N,N-Dimethyl-n-butyramide
- N,N-Dimethylbutanamide
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4276 | Relay (1.0) Calculated Property | |
| PAff | 921.70 | kJ/mol | NIST |
| BasG | [890.80; 898.00] | kJ/mol |
|
| BasG | 890.80 | kJ/mol | NIST |
| BasG | 898.00 ± 8.00 | kJ/mol | NIST |
| ΔcH°liquid | -3893.00 ± 1.30 | kJ/mol | NIST |
| ΔfG° | -18.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -270.90 | kJ/mol | NIST |
| ΔfusH° | 15.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.19 | kJ/mol | NIST |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.875 | Crippen Calculated Property | |
| McVol | 106.950 | ml/mol | McGowan Calculated Property |
| Pc | 3329.68 | kPa | Joback Calculated Property |
| Inp | 978.00 | NIST | |
| Tboil | 441.50 | K | Relay (1.0) Calculated Property |
| Tc | 615.11 | K | Relay (1.0) Calculated Property |
| Tfus | 233.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.419 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 50.80 | kJ/mol | 341.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 354.00 ± 1.00 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.20; 355.92] | 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 | -5.89800e+00 | |||
| Coefficient B | 6.69760e-01 | |||
| Coefficient C | -3.96500e-04 | |||
| Coefficient D | 8.85600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 149.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 185.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 217.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 246.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 271.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 293.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 312.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 329.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 343.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 355.92 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to N,N-Dimethylbutyramide.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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