- 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-
- ΔcH°solid : Standard solid 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).
- 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).
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -3263.10 ± 3.20 | kJ/mol | NIST |
| ΔfG° | 18.14 | kJ/mol | Joback Calculated Property |
| 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° | 50.55 | kJ/mol | Joback Calculated Property |
| log10WS | -1.29 | Crippen 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 | 490.37 | K | Joback Calculated Property |
| Tc | 686.34 | K | Joback 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 |
| Vc | 0.386 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.63; 283.38] | J/mol×K | [490.37; 686.34] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 230 240 250 260 270 280 500 550 600 650 | ||||
| Cp,gas | 229.63 | J/mol×K | 490.37 | Joback Calculated Property |
| Cp,gas | 239.75 | J/mol×K | 523.03 | Joback Calculated Property |
| Cp,gas | 249.39 | J/mol×K | 555.69 | Joback Calculated Property |
| Cp,gas | 258.56 | J/mol×K | 588.36 | Joback Calculated Property |
| Cp,gas | 267.27 | J/mol×K | 621.02 | Joback Calculated Property |
| Cp,gas | 275.54 | J/mol×K | 653.68 | Joback Calculated Property |
| Cp,gas | 283.38 | J/mol×K | 686.34 | Joback Calculated Property |
| ΔfusH | [0.88; 15.70] | kJ/mol | [313.10; 370.00] |
|
|
T(K) Enthalpy of fusion at a given temperature (kJ/mol) 0 2 4 6 8 10 12 14 16 320 340 360 | ||||
| ΔfusH | 7.02 | kJ/mol | 313.10 | NIST |
| ΔfusH | 0.88 | kJ/mol | 344.90 | NIST |
| ΔfusH | 10.80 | kJ/mol | 365.40 | NIST |
| ΔfusH | 14.55 | kJ/mol | 369.30 | NIST |
| ΔfusH | 14.55 | kJ/mol | 369.30 | NIST |
| ΔfusH | 14.55 | kJ/mol | 369.30 | NIST |
| ΔfusH | 15.70 | kJ/mol | 370.00 | NIST |
| ΔsubH | [101.10; 105.90] | kJ/mol | [350.00; 354.00] |
|
| ΔsubH | 101.10 ± 0.40 | kJ/mol | 350.00 | NIST |
| ΔsubH | 102.70 ± 2.80 | kJ/mol | 351.50 | NIST |
| ΔsubH | 103.00 ± 2.80 | kJ/mol | 351.50 | NIST |
| ΔsubH | 105.90 ± 2.60 | kJ/mol | 354.00 | NIST |
| Psub | [4.30e-04; 3.27e-03] | kPa | [346.30; 367.20] |
|
|
T(K) Sublimation pressure (kPa) 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 3.50e-3 350 355 360 365 | ||||
| Psub | 4.30e-04 | kPa | 346.30 | Measure... |
| Psub | 5.90e-04 | kPa | 349.50 | Measure... |
| Psub | 8.10e-04 | kPa | 352.50 | Measure... |
| Psub | 8.00e-04 | kPa | 352.50 | Measure... |
| Psub | 1.20e-03 | kPa | 356.50 | Measure... |
| Psub | 1.69e-03 | kPa | 359.90 | Measure... |
| Psub | 2.21e-03 | kPa | 363.00 | Measure... |
| Psub | 2.20e-03 | kPa | 363.10 | Measure... |
| Psub | 2.57e-03 | kPa | 364.90 | Measure... |
| Psub | 3.27e-03 | kPa | 367.20 | Measure... |
| ΔfusS | [2.55; 39.40] | J/mol×K | [313.10; 369.30] |
|
| ΔfusS | 22.42 | J/mol×K | 313.10 | NIST |
| ΔfusS | 2.55 | J/mol×K | 344.90 | NIST |
| ΔfusS | 39.40 | J/mol×K | 369.30 | NIST |
| ΔfusS | 39.40 | J/mol×K | 369.30 | NIST |
Similar Compounds
Find more compounds similar to Urea, butyl-.
Mixtures
Sources
- 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
- Joback Method
- McGowan Method
- NIST Webbook
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