CheCalc

Chemical engineering calculations to assist process, plant operation and maintenance engineers.

Properties Estimation Joback Method

Pure component physical properties estimation based on Joback Group Contribution method.
Structure Entry
Non-ring Groups

-CH3
-CH2-
>CH-
>C<
=CH2
=CH-
=C<
=C=
≡CH
≡C-
Ring Groups

-CH2- (ring)
>CH- (ring)
>C< (ring)
=CH- (ring)
=C< (ring)
Halogen Groups

-F
-Cl
-Br
-I
Structure Entry
Oxygen Groups

-OH (alcohol)
-OH (phenol)
-O- (non-ring)
-O- (ring)
>C=O (non-ring)
>C=O (ring)
O=CH- (aldehyde)
-COOH (acid)
-COO- (ester)
=O (other than above)

Nitrogen Groups

-NH2
>NH (non-ring)
>NH (ring)
>N- (non-ring)
-N= (non-ring)
-N= (ring)
=NH
-CN
-NO2
Sulfur Groups

-SH
-S- (non-ring)
-S- (ring)
Result
K
K