- InChI
- InChI=1S/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
- InChI Key
- FLVIGYVXZHLUHP-UHFFFAOYSA-N
- Formula
- C5H12N2S
- SMILES
- CCNC(=S)NCC
- Molecular Weight1
- 132.23
- CAS
- 105-55-5
- Other Names
-
- 1,3-Diethyl-2-Thiourea
- 1,3-diethylthiourea
- Diethyl-2-thiourea
- N,N'-Diethylthiocarbamide
- N,N'-Diethylthiourea (sym)
- N,N'-diethylthiourea
- NCI-C03816
- NSC 3507
- Pennzone E
- Thiate H
- U 15030
- USAF EK-1803
- Urea, 1,3-diethyl-2-thio-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- ρs : Solid Density (kg/m3).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -49.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.51 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [120.20; 122.00] | kJ/mol |
|
| ΔsubH° | 122.00 ± 3.00 | kJ/mol | NIST |
| ΔsubH° | 120.20 ± 3.00 | kJ/mol | NIST |
| ΔvapH° | 81.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.98 ± 0.05 | eV | NIST |
| log10WS | [-1.46; -1.46] |
|
|
| log10WS | -1.46 | Aq. Solubility Prediction | |
| log10WS | -1.46 | Estimated Solubility | |
| logPoct/wat | 0.490 | Crippen Calculated Property | |
| McVol | 113.320 | ml/mol | McGowan Calculated Property |
| Tboil | 508.96 | K | Relay (1.0) Calculated Property |
| Tfus | [350.60; 350.65] | K |
|
| Tfus | 350.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 350.65 | K | Aq. Solubility Prediction |
| Tfus | 350.60 ± 0.10 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 17.14 | kJ/mol | 350.50 | NIST |
| ΔvapH | 101.00 ± 3.00 | kJ/mol | 367.50 | NIST |
| ρs | 1120.00 | kg/m3 | 293.00 | Solid-Liquid Phase Equilibrium and Thermodynamic Analysis of N,N'-Diethylthiourea in Different Solvent Systems |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.06; 345.96] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.16680e+01 | |||
| Coefficient B | 7.38630e-01 | |||
| Coefficient C | -5.56800e-04 | |||
| Coefficient D | 1.75800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 152.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 187.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 218.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 245.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 268.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 287.71 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 304.79 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 319.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 333.36 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 345.96 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiourea, N,N'-diethyl-.
Mixtures
- Thiourea, N,N'-diethyl- + Methyl Alcohol
- Ethanol + Thiourea, N,N'-diethyl-
- 1-Propanol + Thiourea, N,N'-diethyl-
- 2-Propanol + Thiourea, N,N'-diethyl-
- 1-Butanol + Thiourea, N,N'-diethyl-
- 1-Pentanol + Thiourea, N,N'-diethyl-
- Acetone + Thiourea, N,N'-diethyl-
- 2-Butanone + Thiourea, N,N'-diethyl-
- Acetic acid, methyl ester + Thiourea, N,N'-diethyl-
- Ethyl Acetate + Thiourea, N,N'-diethyl-
- Acetonitrile + Thiourea, N,N'-diethyl-
- 2-Butanol + Thiourea, N,N'-diethyl-
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Solid-Liquid Phase Equilibrium and Thermodynamic Analysis of N,N'-Diethylthiourea in Different Solvent Systems
- Hydration of Thiourea and Mono-, Di-, and Tetra-N-Alkylthioureas at Infinite Dilution: A Thermodynamic Study at a Temperature of 298.15 K
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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