- InChI
- InChI=1S/C5H12N2O/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8)
- InChI Key
- JLEHSYHLHLHPAL-UHFFFAOYSA-N
- Formula
- C5H12N2O
- SMILES
- CC(C)(C)NC(N)=O
- Molecular Weight1
- 116.16
- CAS
- 1118-12-3
- Other Names
-
- (1,1-dimethylethyl)urea
- N-(1,1-dimethylethyl)urea
- N-tert-butylurea
- Urea, tert-butyl-
- mono-tert-butylurea
- tert-butylurea
- urea, 1,1-dimethylethyl-
- urea, mono-tert-butyl-
- 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).
- 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 | -3267.80 ± 0.53 | kJ/mol | NIST |
| ΔfG° | 20.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -314.00 ± 1.50 | kJ/mol | NIST |
| ΔfH°solid | -414.73 ± 0.87 | kJ/mol | NIST |
| ΔfusH° | 13.19 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 98.20 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 49.25 | kJ/mol | Joback Calculated Property |
| log10WS | -1.40 | Crippen Calculated Property | |
| logPoct/wat | 0.453 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Pc | 4183.90 | kPa | Joback Calculated Property |
| Tboil | 487.14 | K | Joback Calculated Property |
| Tc | 695.87 | K | Joback Calculated Property |
| Tfus | 449.80 ± 0.70 | K | NIST |
| Vc | 0.374 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.97; 289.72] | J/mol×K | [487.14; 695.87] | 
|
| Cp,gas | 232.97 | J/mol×K | 487.14 | Joback Calculated Property |
| Cp,gas | 244.05 | J/mol×K | 521.93 | Joback Calculated Property |
| Cp,gas | 254.43 | J/mol×K | 556.72 | Joback Calculated Property |
| Cp,gas | 264.15 | J/mol×K | 591.50 | Joback Calculated Property |
| Cp,gas | 273.25 | J/mol×K | 626.29 | Joback Calculated Property |
| Cp,gas | 281.76 | J/mol×K | 661.08 | Joback Calculated Property |
| Cp,gas | 289.72 | J/mol×K | 695.87 | Joback Calculated Property |
| ΔfusH | [0.10; 33.13] | kJ/mol | [249.00; 449.80] |
|
| ΔfusH | 0.10 | kJ/mol | 249.00 | NIST |
| ΔfusH | 33.13 | kJ/mol | 449.80 | NIST |
| ΔfusH | 33.13 | kJ/mol | 449.80 | NIST |
| ΔfusH | 33.13 | kJ/mol | 449.80 | NIST |
| ΔsubH | [94.40; 101.60] | kJ/mol | [350.00; 379.00] |
|
| ΔsubH | 94.40 ± 0.90 | kJ/mol | 350.00 | NIST |
| ΔsubH | 97.60 ± 0.80 | kJ/mol | 352.50 | NIST |
| ΔsubH | 97.70 ± 0.80 | kJ/mol | 352.50 | NIST |
| ΔsubH | 100.70 ± 1.20 | kJ/mol | 354.00 | NIST |
| ΔsubH | 101.60 ± 0.70 | kJ/mol | 379.00 | NIST |
| Psub | [2.70e-04; 0.06] | kPa | [335.30; 397.20] |
|
| Psub | 2.70e-04 | kPa | 335.30 | Measure... |
| Psub | 5.10e-04 | kPa | 340.30 | Measure... |
| Psub | 1.04e-03 | kPa | 348.20 | Measure... |
| Psub | 2.35e-03 | kPa | 357.00 | Measure... |
| Psub | 3.15e-03 | kPa | 360.20 | Measure... |
| Psub | 4.19e-03 | kPa | 363.10 | Measure... |
| Psub | 5.23e-03 | kPa | 366.00 | Measure... |
| Psub | 7.02e-03 | kPa | 369.10 | Measure... |
| Psub | 8.74e-03 | kPa | 372.20 | Measure... |
| Psub | 0.01 | kPa | 376.10 | Measure... |
| Psub | 0.02 | kPa | 379.20 | Measure... |
| Psub | 0.02 | kPa | 382.20 | Measure... |
| Psub | 0.03 | kPa | 385.20 | Measure... |
| Psub | 0.03 | kPa | 388.20 | Measure... |
| Psub | 0.04 | kPa | 391.20 | Measure... |
| Psub | 0.05 | kPa | 394.20 | Measure... |
| Psub | 0.06 | kPa | 397.20 | Measure... |
| ΔfusS | [0.41; 73.65] | J/mol×K | [249.00; 449.80] |
|
| ΔfusS | 0.41 | J/mol×K | 249.00 | NIST |
| ΔfusS | 73.60 | J/mol×K | 449.80 | NIST |
| ΔfusS | 73.65 | J/mol×K | 449.80 | NIST |
Similar Compounds
Find more compounds similar to Urea, (1,1-dimethylethyl)-.
Sources
- Crippen Method
- Crippen Method
- 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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