- InChI
- InChI=1S/C5H12N2O/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
- InChI Key
- CNWSQCLBDWYLAN-UHFFFAOYSA-N
- Formula
- C5H12N2O
- SMILES
- CCCCNC(N)=O
- Molecular Weight1
- 116.16
- CAS
- 592-31-4
- Other Names
-
- 1-butylurea
- N-butylurea
- N-n-Butylurea
- NCI-C02131
- butyl urea
- butylurea
- monobutylurea
- urea, N-butyl-
- urea, monobutyl-
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Psub : Sublimation pressure (kPa).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6297 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -3263.10 ± 3.20 | kJ/mol | NIST |
| ΔfH°gas | -313.60 ± 4.20 | kJ/mol | NIST |
| ΔfH°solid | -419.50 ± 3.30 | kJ/mol | NIST |
| ΔfusH° | 20.60 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 105.80 ± 0.70 | kJ/mol | NIST |
| ΔvapH° | 63.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.455 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Pc | 4082.92 | kPa | Joback Calculated Property |
| Tboil | 483.86 | K | Relay (1.0) Calculated Property |
| Tc | 685.34 | K | Relay (1.0) Calculated Property |
| Tfus | 369.30 ± 0.50 | K | NIST |
| Ttriple | [360.00; 370.00] | K |
|
| Ttriple | 370.00 ± 0.30 | K | NIST |
| Ttriple | 360.00 ± 0.00 | K | NIST |
| Ttriple | 360.00 ± 0.00 | K | NIST |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
Similar Compounds
Find more compounds similar to Urea, butyl-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Densimetric and ultrasonic characterization of urea and its derivatives in water
- Hydration of urea and its derivatives - Volumetric and compressibility studies
- Effect of temperature and ionic strength on volumetric and acoustic properties of solutions of urea alkyl derivatives in aqueous NaCl
- Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea
- Thermodynamics of Solvation of Urea and Some Monosubstituted N-Alkylureas in Water at 298.15 K
- Joback Method
- McGowan Method
- NIST Webbook
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