The crystal structure of p-synephrine was solved from a high-resolution X-ray powder diffraction pattern optimized by energy-minimization calculations using the Dreiding force field. The title compound crystallizes in a monoclinic system (space group P21/c, Z = 4, with a = 8.8504(11) A, b = 12.1166(15) A, c = 9.7820(11) A, .beta. = 122.551(2) deg, V = 884.21(19) A3 and d = 1.256 g cm3). Since p-synephrine degrades upon melting, its melting data were determined from DSC experiments carried out as a function of the heating rate. This method allowed determining a melting temperature and enthalpy equal to 199.8 +- 1.3 degC and 57 +- 3 kJ mol.1, respectively.
Compounds
#
Formula
Name
1
C9H13NO2
synephrine
Datasets
The table above is generated from the ThermoML associated json file (link above).
POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied;
the numbers refer to the table of compounds on the left.
Type
Compound-#
Property
Variable
Constraint
Phase
Method
#Points
POMD
1
Normal melting temperature, K ; Crystal
Crystal
Liquid
Air at 1 atmosphere
DTA
1
POMD
1
Molar enthalpy of transition or fusion, kJ/mol ; Crystal