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熔点:
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approximate 118℃ (dec.)
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沸点:
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685.7±55.0 °C(Predicted)
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密度:
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1.362±0.06 g/cm3(Predicted)
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蒸气压:
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0-0Pa at 20-25℃
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形态:
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Solid:particulate/powder
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酸度系数(pKa):
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3.20±0.50(Predicted)
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InChI:
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InChI=1S/C20H23ClO7S/c1-29(25,26)17-8-7-13(20(24)18-15(22)5-2-6-16(18)23)19(21)14(17)11-27-10-12-4-3-9-28-12/h7-8,12,18H,2-6,9-11H2,1H3
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InChIKey:
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UFAPVJDEYHLLBG-UHFFFAOYSA-N
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SMILES:
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C1(=O)CCCC(=O)C1C(=O)C1=CC=C(S(C)(=O)=O)C(COCC2CCCO2)=C1Cl
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LogP:
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-3.9-1.9 at 25℃ and pH2-9
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表面张力:
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67.9mN/m at 194mg/L and 20℃
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解离常数:
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3.2 at 20℃
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