- InChI
- InChI=1S/C5H12N2O/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
- InChI Key
- ZWAVGZYKJNOTPX-UHFFFAOYSA-N
- Formula
- C5H12N2O
- SMILES
- CCNC(=O)NCC
- Molecular Weight1
- 116.16
- CAS
- 623-76-7
- Other Names
-
- 1,3-diethylurea
- N,N'-diethylurea
- sym-Diethylurea
- sym-N,N'-Diethylurea
- urea, 1,3-diethyl-
- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -3302.80 ± 1.70 | kJ/mol | NIST |
| ΔfG° | 41.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -282.90 ± 2.10 | kJ/mol | NIST |
| ΔfH°solid | -379.80 ± 1.80 | kJ/mol | NIST |
| ΔfusH° | 20.50 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 95.40 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 46.34 | kJ/mol | Joback Calculated Property |
| log10WS | -1.05 | Crippen Calculated Property | |
| logPoct/wat | 0.325 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Pc | 3862.67 | kPa | Joback Calculated Property |
| Tboil | 536.20 | K | NIST |
| Tc | 654.81 | K | Joback Calculated Property |
| Tfus | 383.40 ± 0.50 | K | NIST |
| Ttriple | 385.00 ± 0.00 | K | NIST |
| Vc | 0.392 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.22; 275.13] | J/mol×K | [468.01; 654.81] | 
|
|
T(K) Ideal gas heat capacity (J/mol×K) 220 230 240 250 260 270 280 500 550 600 650 | ||||
| Cp,gas | 220.22 | J/mol×K | 468.01 | Joback Calculated Property |
| Cp,gas | 230.48 | J/mol×K | 499.14 | Joback Calculated Property |
| Cp,gas | 240.29 | J/mol×K | 530.28 | Joback Calculated Property |
| Cp,gas | 249.64 | J/mol×K | 561.41 | Joback Calculated Property |
| Cp,gas | 258.56 | J/mol×K | 592.54 | Joback Calculated Property |
| Cp,gas | 267.05 | J/mol×K | 623.68 | Joback Calculated Property |
| Cp,gas | 275.13 | J/mol×K | 654.81 | Joback Calculated Property |
| ΔfusH | [12.46; 12.46] | kJ/mol | [383.40; 383.40] |
|
| ΔfusH | 12.46 | kJ/mol | 383.40 | NIST |
| ΔfusH | 12.46 | kJ/mol | 383.40 | NIST |
| ΔsubH | [91.80; 96.90] | kJ/mol | [350.00; 354.00] |
|
|
T(K) Enthalpy of sublimation at a given temperature (kJ/mol) 92 93 94 95 96 97 350 352 354 | ||||
| ΔsubH | 95.60 ± 0.60 | kJ/mol | 350.00 | NIST |
| ΔsubH | 96.80 ± 0.90 | kJ/mol | 350.00 | NIST |
| ΔsubH | 91.80 ± 0.90 | kJ/mol | 353.50 | NIST |
| ΔsubH | 92.30 ± 0.90 | kJ/mol | 353.50 | NIST |
| ΔsubH | 96.90 ± 0.90 | kJ/mol | 354.00 | NIST |
| Psub | [2.05e-03; 0.04] | kPa | [343.10; 379.20] |
|
|
T(K) Sublimation pressure (kPa) 0 0.01 0.02 0.03 0.04 350 360 370 380 | ||||
| Psub | 2.05e-03 | kPa | 343.10 | Measure... |
| Psub | 2.70e-03 | kPa | 346.20 | Measure... |
| Psub | 3.53e-03 | kPa | 349.20 | Measure... |
| Psub | 4.76e-03 | kPa | 352.30 | Measure... |
| Psub | 6.17e-03 | kPa | 355.20 | Measure... |
| Psub | 7.83e-03 | kPa | 358.20 | Measure... |
| Psub | 8.50e-03 | kPa | 359.60 | Measure... |
| Psub | 0.01 | kPa | 361.20 | Measure... |
| Psub | 0.01 | kPa | 364.20 | Measure... |
| Psub | 0.01 | kPa | 365.70 | Measure... |
| Psub | 0.02 | kPa | 367.20 | Measure... |
| Psub | 0.02 | kPa | 370.10 | Measure... |
| Psub | 0.03 | kPa | 373.20 | Measure... |
| Psub | 0.03 | kPa | 374.60 | Measure... |
| Psub | 0.03 | kPa | 376.20 | Measure... |
| Psub | 0.04 | kPa | 379.20 | Measure... |
| ΔfusS | 32.50 | J/mol×K | 383.40 | NIST |
Similar Compounds
Find more compounds similar to Urea, N,N'-diethyl-.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Densimetric and ultrasonic characterization of urea and its derivatives in water
- 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.