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- InChI
- InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
- InChI Key
- XSQUKJJJFZCRTK-UHFFFAOYSA-N
- Formula
- CH4N2O
- SMILES
- NC(N)=O
- Molecular Weight1
- 60.06
- CAS
- 57-13-6
- Other Names
- (NH2)2CO
- Alphadrate
- Aquacare
- Aquadrate
- B-I-K
- Basodexan
- Benural 70
- Bubber shet
- Calmurid
- Carbaderm
- Carbamide
- Carbamimidic acid
- Carbonyl Diamine
- Carbonyldiamide
- Elaqua xx
- Harnstoff
- Hyanit
- Isourea
- Keratinamin
- Mocovina
- NCI-C02119
- NSC 34375
- Nutraplus
- Onychomal
- Pastaron
- Prespersion, 75 urea
- Pseudourea
- Supercel 3000
- UR
- Ultra Mide
- Urea-13C
- Ureaphil
- Ureophil
- Urepearl
- Urevert
- Uroderm
- Varioform II
- Sources
- PAff: Proton affinity (kJ/mol).
- BasG: Gas basicity (kJ/mol).
- ΔcH°solid: Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas: Ideal gas heat capacity (J/mol×K).
- Cp,solid: Solid phase heat capacity (J/mol×K).
- SProt: Protonation entropy at 298K (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).
- IE: Ionization energy (eV).
- logPoct/wat: Octanol/Water partition coefficient.
- Pc: Critical Pressure (kPa).
- ΔfusS: Entropy of fusion at a given temperature (J/mol×K).
- S°solid,1 bar: Solid phase molar entropy at standard conditions (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/kg-mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 868.40 ± 2.50 | kJ/mol | NIST |
| PAff | 873.50 ± 5.00 | kJ/mol | NIST |
| PAff | 873.50 ± 5.00 | kJ/mol | NIST |
| BasG | 838.70 ± 3.00 | kJ/mol | NIST |
| BasG | 846.10 ± 5.00 | kJ/mol | NIST |
| BasG | 841.60 ± 5.00 | kJ/mol | NIST |
| ΔcH°solid | [-645.00; -631.37] | kJ/mol | 
|
| ΔcH°solid | -632.06 ± 0.67 | kJ/mol | NIST |
| ΔcH°solid | Outlier -645.00 ± 2.00 | kJ/mol | NIST |
| ΔcH°solid | -631.78 ± 0.16 | kJ/mol | NIST |
| ΔcH°solid | -631.37 ± 0.08 | kJ/mol | NIST |
| ΔcH°solid | -633.90 ± 1.70 | kJ/mol | NIST |
| ΔcH°solid | -631.80 ± 0.20 | kJ/mol | NIST |
| ΔcH°solid | -637.43 | kJ/mol | NIST |
| ΔcH°solid | -635.10 | kJ/mol | NIST |
| SProt | 9.40 | J/mol×K | NIST |
| SProt | -1.90 | J/mol×K | NIST |
| ΔfG° | -38.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -235.50 ± 1.20 | kJ/mol | NIST |
| ΔfH°solid | [-333.39; -320.20] | kJ/mol |
|
| ΔfH°solid | -333.11 ± 0.69 | kJ/mol | NIST |
| ΔfH°solid | -320.20 ± 2.00 | kJ/mol | NIST |
| ΔfH°solid | -333.39 ± 0.17 | kJ/mol | NIST |
| ΔfH°solid | -333.30 ± 0.20 | kJ/mol | NIST |
| ΔfH°solid | -323.60 | kJ/mol | NIST |
| ΔfusH° | 10.34 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 95.50 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 98.60 | kJ/mol | NIST |
| ΔsubH° | 87.65 ± 0.88 | kJ/mol | NIST |
| ΔvapH° | 45.85 | kJ/mol | Joback Calculated Property |
| IE | [9.70; 10.33] | eV |
|
| IE | 9.70 | eV | NIST |
| IE | 10.27 ± 0.05 | eV | NIST |
| IE | 9.80 | eV | NIST |
| IE | 10.28 | eV | NIST |
| IE | 10.33 | eV | NIST |
| IE | 10.15 | eV | NIST |
| logPoct/wat | -0.98 | Crippen Calculated Property | |
| Pc | 7735.33 | kPa | Joback Calculated Property |
| S°solid,1 bar | [104.26; 172.00] | J/mol×K |
|
| S°solid,1 bar | 104.26 | J/mol×K | NIST |
| S°solid,1 bar | 104.93 | J/mol×K | NIST |
| S°solid,1 bar | 105.40 | J/mol×K | NIST |
| S°solid,1 bar | 172.00 | J/mol×K | NIST |
| Tboil | 421.21 | K | Joback Calculated Property |
| Tc | 638.13 | K | Joback Calculated Property |
| Tfus | [405.15; 410.00] | K |
|
| Tfus | 406.50 ± 0.50 | K | NIST |
| Tfus | 406.00 ± 3.00 | K | NIST |
| Tfus | 406.20 ± 0.10 | K | NIST |
| Tfus | 405.40 ± 0.80 | K | NIST |
| Tfus | 405.80 ± 0.50 | K | NIST |
| Tfus | 405.15 ± 1.50 | K | NIST |
| Tfus | 406.15 ± 1.50 | K | NIST |
| Tfus | Outlier 410.00 ± 1.50 | K | NIST |
| Ttriple | [405.80; 408.00] | K |
|
| Ttriple | 407.90 ± 0.20 | K | NIST |
| Ttriple | 408.00 ± 0.00 | K | NIST |
| Ttriple | 405.80 ± 0.10 | K | NIST |
| Ttriple | 405.80 ± 0.20 | K | NIST |
| Vc | 0.16 | m3/kg-mol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | 87.80 | J/mol×K | 421.21 | Joback Calculated Property |
| Cp,solid | [68.60; 115.50] | J/mol×K | [293.00; 304.70] |
|
 | ||||
| Cp,solid | 68.60 | J/mol×K | 293.0 | NIST |
| Cp,solid | 93.64 | J/mol×K | 298.0 | NIST |
| Cp,solid | 115.50 | J/mol×K | 298.0 | NIST |
| Cp,solid | 92.79 | J/mol×K | 298.15 | NIST |
| Cp,solid | 93.08 | J/mol×K | 298.15 | NIST |
| Cp,solid | 90.00 | J/mol×K | 298.15 | NIST |
| Cp,solid | 93.14 | J/mol×K | 298.15 | NIST |
| Cp,solid | 94.00 | J/mol×K | 304.7 | NIST |
| ΔfusH | [12.93; 15.03] | kJ/mol | [405.20; 408.10] |
|
 | ||||
| ΔfusH | 13.60 | kJ/mol | 405.2 | NIST |
| ΔfusH | 13.90 | kJ/mol | 405.8 | NIST |
| ΔfusH | 13.61 | kJ/mol | 405.8 | NIST |
| ΔfusH | 13.90 | kJ/mol | 405.8 | NIST |
| ΔfusH | 14.50 | kJ/mol | 406.0 | NIST |
| ΔfusH | 14.79 | kJ/mol | 406.5 | NIST |
| ΔfusH | 14.60 | kJ/mol | 406.7 | NIST |
| ΔfusH | 14.60 | kJ/mol | 407.2 | NIST |
| ΔfusH | 15.03 | kJ/mol | 407.9 | NIST |
| ΔfusH | 12.93 | kJ/mol | 408.1 | NIST |
| ΔsubH | [87.70; 97.60] | kJ/mol | [350.00; 381.00] |
|
 | ||||
| ΔsubH | 94.60 ± 0.50 | kJ/mol | 350.0 | NIST |
| ΔsubH | 96.90 | kJ/mol | 350.0 | NIST |
| ΔsubH | 97.60 ± 1.00 | kJ/mol | 354.0 | NIST |
| ΔsubH | 87.70 | kJ/mol | 356.5 | NIST |
| ΔsubH | 87.90 ± 2.10 | kJ/mol | 356.5 | NIST |
| ΔsubH | 88.20 | kJ/mol | 357.0 | NIST |
| ΔsubH | 95.40 | kJ/mol | 361.0 | NIST |
| ΔsubH | 94.60 ± 2.20 | kJ/mol | 366.0 | NIST |
| ΔsubH | 95.10 ± 2.20 | kJ/mol | 366.0 | NIST |
| ΔsubH | 90.90 | kJ/mol | 381.0 | NIST |
| ΔfusS | [33.54; 36.40] | J/mol×K | [405.80; 406.50] |
|
| ΔfusS | 34.25 | J/mol×K | 405.8 | NIST |
| ΔfusS | 33.54 | J/mol×K | 405.8 | NIST |
| ΔfusS | 35.70 | J/mol×K | 406.0 | NIST |
| ΔfusS | 36.40 | J/mol×K | 406.5 | NIST |
Molecular Descriptors
| Joback and Reid Groups | |
|---|---|
| >C=O (nonring) | 1 |
| -NH2 | 2 |
Similar Compounds
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