Accuracy

calcium hydroxide   2741 Calcium hydroxide

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  2731 Calcium monoamide (Geo)H2NCa
  2732 Calcium cyanide (Geo)C2N2Ca
  2733 Calcium isocyanide (Geo)C2N2Ca
  2734 Ca(II)N6(2+) (QAKGAL) (Geo)H18N6Ca
  2735 Calcium trisethylenediamineC6H24N6Ca
  2736 Calcium trisethylenediamine (Geo)C6H24N6Ca
  2737 Calcium oxideOCa
  2738 Calcium oxide (Geo)OCa
  2739 Calcium monohydroxideHOCa
  2740 Calcium monohydroxide (Geo)HOCa
  2741 Calcium hydroxide H2O2Ca
  2742 Calcium hydroxide (Geo)H2O2Ca
  2743 Ca(II)(Cp)2O2 (TEYYIF) (Geo)C16H22O2Ca
  2744 Ca(II)(Cp)2O2 (TEYYIF)C16H22O2Ca
  2745 Ca(II)(Cp)2O2 (SEHPEA) (Geo)C16H24O2Ca
  2746 Ca(II)(Cp)2O2 (SEHPEA)C16H24O2Ca
  2747 Ca(II)O2 (TASFOI) (Geo)C8H10O4Ca
  2748 Ca(II)O2 (TASFOI)C8H10O4Ca
  2749 Ca(OH)2.(H2O)4H10O6Ca
  2750 Ca(OH)2.(H2O)4 (Geo)H10O6Ca
  2751 Ca(++)(H2O)5.OHH11O6Ca


ΔHf: -146.0 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
Calcium hydroxide
 H=-146.0 HR=NIST
 Ca     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.87386541 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.87386586 +1  180.0000000 +0    0.0000000 +0     1     2     0
  H     0.88155062 +1  179.8805606 +1  -90.1080579 +1     2     1     3
  H     0.88155068 +1  179.8118074 +1   92.7221900 +1     3     1     2