- InChI
- InChI=1S/C4H10N2S/c1-2-3-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)
- InChI Key
- UHGKYJXJYJWDAM-UHFFFAOYSA-N
- Formula
- C4H10N2O
- SMILES
- CCCNC(=N)S
- Molecular Weight1
- 102.14
- CAS
- 927-67-3
- Other Names
-
- N-propylurea
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5559 | Relay (1.0) Calculated Property | |
| ΔfG° | 305.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -8.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 62.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.851 | Crippen Calculated Property | |
| McVol | 99.230 | ml/mol | McGowan Calculated Property |
| Pc | 4759.27 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 494.55 | K | Relay (1.0) Calculated Property |
| Tc | 686.51 | K | Relay (1.0) Calculated Property |
| Tfus | 386.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.329 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [47.33; 201.33] | J/mol×K | [100.12; 488.29] | 
|
| Cp,gas | 47.33 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 47.33 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 47.33 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 47.33 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 47.33 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 47.33 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 201.33 | J/mol×K | 488.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to propyl-2-thiourea.
Sources
- 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
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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