- InChI
- InChI=1S/C9H20N2O/c1-8(2,3)10-7(12)11-9(4,5)6/h1-6H3,(H2,10,11,12)
- InChI Key
- WSABLXKFAPKFSO-UHFFFAOYSA-N
- Formula
- C9H20N2O
- SMILES
- CC(C)(C)NC(=O)NC(C)(C)C
- Molecular Weight1
- 172.27
- CAS
- 5336-24-3
- Other Names
-
- Urea, 1,3-di-tert-butyl-
- Di-tert-Butylurea
- N,N'-Di-tert-butylurea
- 1,3-Di-tert-butylurea
- ω : Acentric Factor.
- 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).
- 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).
- Tboil : Normal Boiling Point Temperature (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 | 0.5758 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -5900.10 ± 4.00 | kJ/mol | NIST |
| ΔfG° | 80.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -404.20 ± 4.30 | kJ/mol | NIST |
| ΔfH°solid | -499.80 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 16.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.883 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2616.41 | kPa | Joback Calculated Property |
| Tboil | 482.02 | K | Relay (1.0) Calculated Property |
| Tc | 704.72 | K | Relay (1.0) Calculated Property |
| Tfus | 438.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.593 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.68; 484.71] | J/mol×K | [553.07; 753.35] | 
|
| Cp,gas | 404.68 | J/mol×K | 553.07 | Joback Calculated Property |
| Cp,gas | 420.31 | J/mol×K | 586.45 | Joback Calculated Property |
| Cp,gas | 434.95 | J/mol×K | 619.83 | Joback Calculated Property |
| Cp,gas | 448.65 | J/mol×K | 653.21 | Joback Calculated Property |
| Cp,gas | 461.47 | J/mol×K | 686.59 | Joback Calculated Property |
| Cp,gas | 473.48 | J/mol×K | 719.97 | Joback Calculated Property |
| Cp,gas | 484.71 | J/mol×K | 753.35 | Joback Calculated Property |
| ΔsubH | 95.60 ± 1.00 | kJ/mol | 354.00 | NIST |
Similar Compounds
Find more compounds similar to Urea, N,N'-bis(1,1-dimethylethyl)-.
Sources
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