- InChI
- InChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
- InChI Key
- LUBJCRLGQSPQNN-UHFFFAOYSA-N
- Formula
- C7H8N2O
- SMILES
- NC(=O)Nc1ccccc1
- Molecular Weight1
- 136.15
- CAS
- 64-10-8
- Other Names
-
- 1-Phenylurea
- Monophenylurea
- N-phenylurea
- NSC 2781
- PC
- Phenylcarbamide
- Stabilisator VH
- Stabilizer VH
- Urea, N-phenyl
- VH
- phenylurea
- 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 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).
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | [-3684.00; -3666.40] | kJ/mol |
|
| ΔcH°solid | -3666.40 ± 2.20 | kJ/mol | NIST |
| ΔcH°solid | -3684.00 | kJ/mol | NIST |
| ΔfG° | 147.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 23.40 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | [-231.50; -215.00] | kJ/mol |
|
| ΔfH°solid | -231.50 ± 2.20 | kJ/mol | NIST |
| ΔfH°solid | -218.60 ± 2.40 | kJ/mol | NIST |
| ΔfH°solid | -215.00 | kJ/mol | NIST |
| ΔfusH° | 19.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.27 | kJ/mol | Joback Calculated Property |
| IE | 8.55 | eV | NIST |
| log10WS | -1.67 | Crippen Calculated Property | |
| logPoct/wat | 1.177 | Crippen Calculated Property | |
| McVol | 107.260 | ml/mol | McGowan Calculated Property |
| Pc | 4917.69 | kPa | Joback Calculated Property |
| Tboil | 511.20 | K | NIST |
| Tc | 799.09 | K | Joback Calculated Property |
| Tfus | 420.60 ± 0.30 | K | NIST |
| Vc | 0.390 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.67; 296.09] | J/mol×K | [562.81; 799.09] |
|
| Cp,gas | 242.67 | J/mol×K | 562.81 | Joback Calculated Property |
| Cp,gas | 253.47 | J/mol×K | 602.19 | Joback Calculated Property |
| Cp,gas | 263.46 | J/mol×K | 641.57 | Joback Calculated Property |
| Cp,gas | 272.68 | J/mol×K | 680.95 | Joback Calculated Property |
| Cp,gas | 281.17 | J/mol×K | 720.33 | Joback Calculated Property |
| Cp,gas | 288.96 | J/mol×K | 759.71 | Joback Calculated Property |
| Cp,gas | 296.09 | J/mol×K | 799.09 | Joback Calculated Property |
| ΔfusH | [23.68; 23.68] | kJ/mol | [420.60; 420.60] |
|
| ΔfusH | 23.68 | kJ/mol | 420.60 | NIST |
| ΔfusH | 23.68 | kJ/mol | 420.60 | NIST |
| ΔfusH | 23.68 | kJ/mol | 420.60 | NIST |
| ΔsubH | 136.00 ± 6.00 | kJ/mol | 402.00 | NIST |
| Psub | [6.10e-04; 7.14e-03] | kPa | [386.00; 413.60] |
|
| Psub | 6.10e-04 | kPa | 386.00 | Phenyl ... |
| Psub | 1.03e-03 | kPa | 391.70 | Phenyl ... |
| Psub | 1.54e-03 | kPa | 396.20 | Phenyl ... |
| Psub | 2.09e-03 | kPa | 399.50 | Phenyl ... |
| Psub | 2.75e-03 | kPa | 402.40 | Phenyl ... |
| Psub | 3.94e-03 | kPa | 406.20 | Phenyl ... |
| Psub | 4.70e-03 | kPa | 408.30 | Phenyl ... |
| Psub | 6.07e-03 | kPa | 411.50 | Phenyl ... |
| Psub | 7.14e-03 | kPa | 413.60 | Phenyl ... |
| ΔfusS | 56.30 | J/mol×K | 420.60 | NIST |
Similar Compounds
Find more compounds similar to Urea, phenyl-.
Sources
- Crippen Method
- Crippen Method
- Phenyl substituted ureas: Evaluation of thermochemical data with complementary experimental and computational methods
- Joback Method
- McGowan Method
- NIST Webbook
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