- InChI
- InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
- InChI Key
- UMGDCJDMYOKAJW-UHFFFAOYSA-N
- Formula
- CH4N2S
- SMILES
- NC(N)=S
- Molecular Weight1
- 76.12
- CAS
- 62-56-6
- Other Names
-
- (NH2)2CS
- 2-Thiopseudourea
- 2-Thiourea
- Isothiourea
- NSC 5033
- Pseudothiourea
- Pseudourea, 2-thio-
- Rcra waste number U219
- Sulfourea
- Sulourea
- THU
- Thiocarbamide
- Thiocarbonic acid diamide
- Thiomocovina
- Tsizp 34
- UN 2877
- USAF EK-497
- Urea, 2-thio-
- Urea, thio-
- «beta»-Thiopseudourea
- «beta»-Thiopseudourea
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- 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).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- ΔsubS : Entropy of sublimation 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.
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 |
|---|---|---|---|
| PAff | 893.70 | kJ/mol | NIST |
| BasG | 863.90 | kJ/mol | NIST |
| ΔcH°solid | [-1488.00; -1474.40] | kJ/mol |
|
| ΔcH°solid | -1478.03 ± 0.45 | kJ/mol | NIST |
| ΔcH°solid | -1474.40 ± 2.10 | kJ/mol | NIST |
| ΔcH°solid | -1488.00 ± 0.80 | kJ/mol | NIST |
| ΔfG° | 207.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 22.90 ± 1.60 | kJ/mol | NIST |
| ΔfH°solid | [-90.00; -89.10] | kJ/mol |
|
| ΔfH°solid | -89.10 ± 0.50 | kJ/mol | NIST |
| ΔfH°solid | -90.00 | kJ/mol | NIST |
| ΔfusH° | 13.34 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [107.60; 112.00] | kJ/mol |
|
| ΔsubH° | 112.00 ± 2.00 | kJ/mol | NIST |
| ΔsubH° | 111.00 ± 3.00 | kJ/mol | NIST |
| ΔsubH° | 107.60 | kJ/mol | NIST |
| ΔsubH° | 112.00 ± 1.50 | kJ/mol | NIST |
| ΔsubH° | 112.00 ± 1.50 | kJ/mol | NIST |
| ΔvapH° | 45.83 | kJ/mol | Joback Calculated Property |
| IE | [7.90; 8.50] | eV |
|
| IE | 8.50 | eV | NIST |
| IE | Outlier 7.90 | eV | NIST |
| IE | 8.50 ± 0.05 | eV | NIST |
| IE | 8.50 | eV | NIST |
| IE | 8.41 ± 0.03 | eV | NIST |
| IE | 8.41 | eV | NIST |
| log10WS | [0.32; 0.32] |
|
|
| log10WS | 0.32 | Aq. Sol... | |
| log10WS | 0.32 | Estimat... | |
| logPoct/wat | -0.811 | Crippen Calculated Property | |
| McVol | 56.960 | ml/mol | McGowan Calculated Property |
| Pc | 8145.55 | kPa | Joback Calculated Property |
| S°solid,1 bar | 115.80 | J/mol×K | NIST |
| Tboil | 437.38 | K | Joback Calculated Property |
| Tc | 674.49 | K | Joback Calculated Property |
| Tfus | [448.05; 453.30] | K |
|
| Tfus | 451.32 | K | Aq. Sol... |
| Tfus | 450.16 | K | Measure... |
| Tfus | 452.20 ± 0.50 | K | NIST |
| Tfus | 448.05 ± 0.20 | K | NIST |
| Tfus | 453.30 ± 0.10 | K | NIST |
| Vc | 0.185 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [99.61; 120.01] | J/mol×K | [437.38; 674.49] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 100 105 110 115 120 500 600 | ||||
| Cp,gas | 99.61 | J/mol×K | 437.38 | Joback Calculated Property |
| Cp,gas | 103.98 | J/mol×K | 476.90 | Joback Calculated Property |
| Cp,gas | 107.89 | J/mol×K | 516.42 | Joback Calculated Property |
| Cp,gas | 111.40 | J/mol×K | 555.94 | Joback Calculated Property |
| Cp,gas | 114.56 | J/mol×K | 595.45 | Joback Calculated Property |
| Cp,gas | 117.41 | J/mol×K | 634.97 | Joback Calculated Property |
| Cp,gas | 120.01 | J/mol×K | 674.49 | Joback Calculated Property |
| Cp,solid | [96.90; 96.90] | J/mol×K | [298.15; 298.15] |
|
| Cp,solid | 96.90 | J/mol×K | 298.15 | NIST |
| Cp,solid | 96.90 | J/mol×K | 298.15 | NIST |
| ΔfusH | [12.55; 15.64] | kJ/mol | [444.70; 452.20] |
|
| ΔfusH | 15.64 | kJ/mol | 444.70 | NIST |
| ΔfusH | 12.60 | kJ/mol | 452.20 | NIST |
| ΔfusH | 12.60 | kJ/mol | 452.20 | NIST |
| ΔfusH | 12.55 | kJ/mol | 452.20 | NIST |
| ΔsubH | [103.90; 112.00] | kJ/mol | [298.15; 408.00] |
|
| ΔsubH | 112.00 | kJ/mol | 298.15 | NIST |
| ΔsubH | 106.60 | kJ/mol | 381.50 | NIST |
| ΔsubH | 103.90 ± 0.30 | kJ/mol | 387.00 | NIST |
| ΔsubH | 109.00 ± 2.00 | kJ/mol | 408.00 | NIST |
| ρl | 1405.10 | kg/m3 | 298.15 | Measure... |
| ΔsubS | 375.60 | J/mol×K | 298.15 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [9.58; 8207.86] | kPa | [454.15; 854.00] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54303e+01 | |||
| Coefficient B | -5.00458e+03 | |||
| Coefficient C | -7.41600e+01 | |||
| Temperature range, min. | 454.15 | |||
| Temperature range, max. | 854.00 | |||
|
T(K) Vapor pressure (kPa) 0 2000 4000 6000 8000 500 600 700 800 | ||||
| Pvap | 9.58 | kPa | 454.15 | Calculated Property |
| Pvap | 38.04 | kPa | 498.58 | Calculated Property |
| Pvap | 116.28 | kPa | 543.01 | Calculated Property |
| Pvap | 292.94 | kPa | 587.43 | Calculated Property |
| Pvap | 636.96 | kPa | 631.86 | Calculated Property |
| Pvap | 1234.98 | kPa | 676.29 | Calculated Property |
| Pvap | 2186.23 | kPa | 720.72 | Calculated Property |
| Pvap | 3596.12 | kPa | 765.14 | Calculated Property |
| Pvap | 5570.03 | kPa | 809.57 | Calculated Property |
| Pvap | 8207.86 | kPa | 854.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiourea.
Mixtures
- Ethanol + Thiourea + Methyl Alcohol
- 1-Propanol + Thiourea + Methyl Alcohol
- Thiourea + Methyl Alcohol
- Ethanol + Thiourea
- 1-Propanol + Thiourea
- Thiourea + Triethylene glycol + Water
- Thiourea + Triethylene glycol
- Thiourea + Water
Sources
- Crippen Method
- Measurement and correlation of solubility of thiourea in two solvent mixtures from T = (283.15 to 313.15) K
- Measurement and Correlation of Solubility and Thermodynamic Properties of Vinpocetine in Nine Pure Solvents and (Ethanol + Water) Binary Solvent
- Apparent Molar Volumes and Expansibilities of Thiourea, 1,3-Dimethylurea, and 1,3-Dimethylthiourea in Water at Temperatures from T = (278.15 to 318.15) K and Atmospheric Pressure
- Measurement and Correlation for Solubility of 2-Bromopropane and Thiourea in Water
- Measurement and Correlation for Solubility of Thiourea in Triglycol + Water at Temperatures from (292.05 to 357.75) K
- Measurement and Correlation of Densities and Viscosities of Thiourea in Triglycol + Water at Temperatures from (302.85 to 341.45) K
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.