CAS Reg. No. 581782-45-8

CAS Registry Number: 581782-45-8
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Reaction thermochemistry data

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Individual Reactions

CAS Reg. No. 581782-45-8 + 2 = C₆H₁₅N₂O₅^-

By formula: CAS Reg. No. 581782-45-8 + 2H₂O = C₆H₁₅N₂O₅^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	40.2 ± 0.84	kJ/mol	TDEq	Liu, Wyttenbacj, et al., 2004	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	20.2	kJ/mol	TDEq	Liu, Wyttenbacj, et al., 2004	gas phase

CAS Reg. No. 581782-45-8 + 3 = C₆H₁₇N₂O₆^-

By formula: CAS Reg. No. 581782-45-8 + 3H₂O = C₆H₁₇N₂O₆^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	36.0 ± 0.84	kJ/mol	TDEq	Liu, Wyttenbacj, et al., 2004	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	16.5	kJ/mol	TDEq	Liu, Wyttenbacj, et al., 2004	gas phase

CAS Reg. No. 581782-45-8 + 4 = C₆H₁₉N₂O₇^-

By formula: CAS Reg. No. 581782-45-8 + 4H₂O = C₆H₁₉N₂O₇^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	29.7 ± 0.84	kJ/mol	TDEq	Liu, Wyttenbacj, et al., 2004	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13.5	kJ/mol	TDEq	Liu, Wyttenbacj, et al., 2004	gas phase

CAS Reg. No. 581782-45-8 + = C₆H₁₃N₂O₄^-

By formula: CAS Reg. No. 581782-45-8 + H₂O = C₆H₁₃N₂O₄^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	48.95 ± 0.84	kJ/mol	TDEq	Liu, Wyttenbacj, et al., 2004	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	27.6	kJ/mol	TDEq	Liu, Wyttenbacj, et al., 2004	gas phase

CAS Reg. No. 581782-45-8 + = C₁₂H₂₃N₄O₆^-

By formula: CAS Reg. No. 581782-45-8 + C₆H₁₂N₂O₃ = C₁₂H₂₃N₄O₆^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	35.1 ± 1.7	kJ/mol	TDEq	Liu, Wyttenbacj, et al., 2004	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	11.3	kJ/mol	TDEq	Liu, Wyttenbacj, et al., 2004	gas phase

References

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Liu, Wyttenbacj, et al., 2004
Liu, D.; Wyttenbacj, T.; Carpenter, C.J.; Bowers, M.T., Investigation of Non-Covalent Interactions in Deprotonated Peptides: Structural and Energetic Competition between Aggregation and Hydration, J. Am. Chem. Soc., 2004, 126, 10, 3261, https://doi.org/10.1021/ja0393628 . [all data]

Notes

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Symbols used in this document:

Δ_rG° Free energy of reaction at standard conditions

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions