- 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
- N,N'-Diethylthiourea (sym)
- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- Pc : Critical Pressure (kPa).
- ρs : Solid Density (kg/m3).
- 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 |
|---|---|---|---|
| ΔfG° | 287.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 106.91 | kJ/mol | Joback 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° | 46.33 | kJ/mol | Joback Calculated Property |
| IE | 7.98 ± 0.05 | eV | NIST |
| log10WS | [-1.46; -1.46] |
|
|
| log10WS | -1.46 | Aq. Sol... | |
| log10WS | -1.46 | Estimat... | |
| logPoct/wat | 0.490 | Crippen Calculated Property | |
| McVol | 113.320 | ml/mol | McGowan Calculated Property |
| Pc | 4005.77 | kPa | Joback Calculated Property |
| Tboil | 484.18 | K | Joback Calculated Property |
| Tc | 686.47 | K | Joback Calculated Property |
| Tfus | [350.60; 350.65] | K |
|
| Tfus | 350.65 | K | Aq. Sol... |
| Tfus | 350.60 ± 0.10 | K | NIST |
| Vc | 0.421 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [235.39; 289.86] | J/mol×K | [484.18; 686.47] |
|
| Cp,gas | 235.39 | J/mol×K | 484.18 | Joback Calculated Property |
| Cp,gas | 245.94 | J/mol×K | 517.90 | Joback Calculated Property |
| Cp,gas | 255.85 | J/mol×K | 551.61 | Joback Calculated Property |
| Cp,gas | 265.16 | J/mol×K | 585.33 | Joback Calculated Property |
| Cp,gas | 273.91 | J/mol×K | 619.04 | Joback Calculated Property |
| Cp,gas | 282.13 | J/mol×K | 652.76 | Joback Calculated Property |
| Cp,gas | 289.86 | J/mol×K | 686.47 | Joback Calculated Property |
| 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-L... |
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-
- Isopropyl Alcohol + 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-
Sources
- Crippen Method
- Solid-Liquid Phase Equilibrium and Thermodynamic Analysis of N,N'-Diethylthiourea in Different Solvent Systems
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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