Physical Properties
Property
Value
Unit
Source
PAff
868.40 ± 2.50
kJ/mol
NIST
PAff
873.50 ± 5.00
kJ/mol
NIST
PAff
873.50 ± 5.00
kJ/mol
NIST
BasG
838.70 ± 3.00
kJ/mol
NIST
BasG
846.10 ± 5.00
kJ/mol
NIST
BasG
841.60 ± 5.00
kJ/mol
NIST
Δc H°solid
[-645.00; -631.37]
kJ/mol
Δc H°solid
-632.06 ± 0.67
kJ/mol
NIST
Δc H°solid
Outlier -645.00 ± 2.00
kJ/mol
NIST
Δc H°solid
-631.78 ± 0.16
kJ/mol
NIST
Δc H°solid
-631.37 ± 0.08
kJ/mol
NIST
Δc H°solid
-633.90 ± 1.70
kJ/mol
NIST
Δc H°solid
-631.80 ± 0.20
kJ/mol
NIST
Δc H°solid
-637.43
kJ/mol
NIST
Δc H°solid
-635.10
kJ/mol
NIST
SProt
9.40
J/mol×K
NIST
SProt
-1.90
J/mol×K
NIST
Δf G°
-38.48
kJ/mol
Joback
Calculated Property
Δf H°gas
-235.50 ± 1.20
kJ/mol
NIST
Δf H°solid
[-333.39; -320.20]
kJ/mol
Δf H°solid
-333.11 ± 0.69
kJ/mol
NIST
Δf H°solid
-320.20 ± 2.00
kJ/mol
NIST
Δf H°solid
-333.39 ± 0.17
kJ/mol
NIST
Δf H°solid
-333.30 ± 0.20
kJ/mol
NIST
Δf H°solid
-323.60
kJ/mol
NIST
Δfus H°
10.34
kJ/mol
Joback
Calculated Property
Δsub H°
95.50 ± 0.30
kJ/mol
NIST
Δsub H°
98.60
kJ/mol
NIST
Δsub H°
87.65 ± 0.88
kJ/mol
NIST
Δvap H°
45.85
kJ/mol
Joback
Calculated Property
IE
[9.70; 10.33]
eV
IE
9.70
eV
NIST
IE
10.27 ± 0.05
eV
NIST
IE
9.80
eV
NIST
IE
10.28
eV
NIST
IE
10.33
eV
NIST
IE
10.15
eV
NIST
log Poct/wat
-0.98
Crippen
Calculated Property
Pc
7735.33
kPa
Joback
Calculated Property
S°solid,1 bar
[104.26; 172.00]
J/mol×K
S°solid,1 bar
104.26
J/mol×K
NIST
S°solid,1 bar
104.93
J/mol×K
NIST
S°solid,1 bar
105.40
J/mol×K
NIST
S°solid,1 bar
172.00
J/mol×K
NIST
Tboil
421.21
K
Joback
Calculated Property
Tc
638.13
K
Joback
Calculated Property
Tfus
[405.15; 410.00]
K
Tfus
406.50 ± 0.50
K
NIST
Tfus
406.00 ± 3.00
K
NIST
Tfus
406.20 ± 0.10
K
NIST
Tfus
405.40 ± 0.80
K
NIST
Tfus
405.80 ± 0.50
K
NIST
Tfus
405.15 ± 1.50
K
NIST
Tfus
406.15 ± 1.50
K
NIST
Tfus
Outlier 410.00 ± 1.50
K
NIST
Ttriple
[405.80; 408.00]
K
Ttriple
407.90 ± 0.20
K
NIST
Ttriple
408.00 ± 0.00
K
NIST
Ttriple
405.80 ± 0.10
K
NIST
Ttriple
405.80 ± 0.20
K
NIST
Vc
0.16
m3 /kg-mol
Joback
Calculated Property
Temperature Dependent Properties
Property
Value
Unit
Temperature (K)
Source
Cp,gas
87.80
J/mol×K
421.21
Joback
Calculated Property
Cp,solid
[68.60; 115.50]
J/mol×K
[293.00; 304.70]
Cp,solid
68.60
J/mol×K
293.0
NIST
Cp,solid
93.64
J/mol×K
298.0
NIST
Cp,solid
115.50
J/mol×K
298.0
NIST
Cp,solid
92.79
J/mol×K
298.15
NIST
Cp,solid
93.08
J/mol×K
298.15
NIST
Cp,solid
90.00
J/mol×K
298.15
NIST
Cp,solid
93.14
J/mol×K
298.15
NIST
Cp,solid
94.00
J/mol×K
304.7
NIST
Δfus H
[12.93; 15.03]
kJ/mol
[405.20; 408.10]
Δfus H
13.60
kJ/mol
405.2
NIST
Δfus H
13.90
kJ/mol
405.8
NIST
Δfus H
13.61
kJ/mol
405.8
NIST
Δfus H
13.90
kJ/mol
405.8
NIST
Δfus H
14.50
kJ/mol
406.0
NIST
Δfus H
14.79
kJ/mol
406.5
NIST
Δfus H
14.60
kJ/mol
406.7
NIST
Δfus H
14.60
kJ/mol
407.2
NIST
Δfus H
15.03
kJ/mol
407.9
NIST
Δfus H
12.93
kJ/mol
408.1
NIST
Δsub H
[87.70; 97.60]
kJ/mol
[350.00; 381.00]
Δsub H
94.60 ± 0.50
kJ/mol
350.0
NIST
Δsub H
96.90
kJ/mol
350.0
NIST
Δsub H
97.60 ± 1.00
kJ/mol
354.0
NIST
Δsub H
87.70
kJ/mol
356.5
NIST
Δsub H
87.90 ± 2.10
kJ/mol
356.5
NIST
Δsub H
88.20
kJ/mol
357.0
NIST
Δsub H
95.40
kJ/mol
361.0
NIST
Δsub H
94.60 ± 2.20
kJ/mol
366.0
NIST
Δsub H
95.10 ± 2.20
kJ/mol
366.0
NIST
Δsub H
90.90
kJ/mol
381.0
NIST
Δfus S
[33.54; 36.40]
J/mol×K
[405.80; 406.50]
Δfus S
34.25
J/mol×K
405.8
NIST
Δfus S
33.54
J/mol×K
405.8
NIST
Δfus S
35.70
J/mol×K
406.0
NIST
Δfus S
36.40
J/mol×K
406.5
NIST
Molecular Descriptors
Joback and Reid Groups
>C=O (nonring)
1
-NH2
2
Similar Compounds
Find more compounds similar to Urea .
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that the value is more than 2 standard deviations away from the
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