Chemical Properties of Vitamin k1 (CAS 81818-54-4)

Vitamin k1

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InChI
InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+
InChI Key
MBWXNTAXLNYFJB-LKUDQCMESA-N
Formula
C31H46O2
SMILES
CC(=CCC1=C(C)C(=O)c2ccccc2C1=O)CCCC(C)CCCC(C)CCCC(C)C
Molecular Weight1
450.70
CAS
81818-54-4
Other Names
  • 2-Methyl-3-phytyl-1,4-naphthoquinone
  • 2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)-1,4-naphthoquinone
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Physical Properties

Property Value Unit Source
ΔfG° 199.15 kJ/mol Joback Calculated Property
ΔfH°gas -520.10 kJ/mol Joback Calculated Property
ΔfusH° 52.45 kJ/mol Joback Calculated Property
ΔvapH° 96.92 kJ/mol Joback Calculated Property
log10WS -10.46 Crippen Calculated Property
logPoct/wat 9.158 Crippen Calculated Property
McVol 407.570 ml/mol McGowan Calculated Property
Pc 801.15 kPa Joback Calculated Property
Tboil 1103.50 K Joback Calculated Property
Tc 1351.22 K Joback Calculated Property
Tfus 594.93 K Joback Calculated Property
Vc 1.577 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1455.83; 1536.05] J/mol×K [1103.50; 1351.22] Show Hide
Cp,gas 1455.83 J/mol×K 1103.50 Joback Calculated Property
Cp,gas 1473.31 J/mol×K 1144.79 Joback Calculated Property
Cp,gas 1489.01 J/mol×K 1186.07 Joback Calculated Property
Cp,gas 1503.03 J/mol×K 1227.36 Joback Calculated Property
Cp,gas 1515.49 J/mol×K 1268.65 Joback Calculated Property
Cp,gas 1526.46 J/mol×K 1309.93 Joback Calculated Property
Cp,gas 1536.05 J/mol×K 1351.22 Joback Calculated Property

Similar Compounds

Phytonadione. Lapachol. 1-(5'-Chloro-2'-methylaminobenzoyl)-cyclohex-1-ene. Equilin. Quinidine. Quinine. 5-Hydroxyuracil riboside, TMS. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. Uridine, 2',3'-bis-O-acetyl, 5'-O-TBDMS. Uridine, 2'-O-acetyl, 3',5'-bis-O-TBDMS. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. Uridine, 2'-O-TBDMS, 3',5'-bis-O-acetyl. norbormide. N-Desmethylmirtazapine.

Find more compounds similar to Vitamin k1.

Sources

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