Energy for water heating accounts for an increasing part in residential energy demand in China. An extensive survey was conducted to analyze the determinants of household energy choices for water heaters among residents in Nanjing, China. Two sets of variables were examined as potential influences: building features and household socio-economic characteristics. Results suggest that building features such as gas availability and building structures, and household characteristics such as household head’s education degree and energy-conserving sense are crucial determinants in choosing natural gas as water heater energy. Installation permission for solar water heater, building stories, and residential location serve as determining factors in choosing solar water heaters. Based on these, barriers and opportunities are discussed for transitions toward cleaner water heating energies, and suggestions are given for local governments to promote cleaner energy replacement in China.