Properties

Properties Estimation Joback Method

This web application does pure component physical properties estimation based on Joback Group Contribution method.

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

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)

Reference

Result

K
K