Chemical Properties of Coniferyl alcohol, bis(heptafluorobutyrate)

InChI

InChI=1S/C18H10F14O5/c1-35-10-7-8(3-2-6-36-11(33)13(19,20)15(23,24)17(27,28)29)4-5-9(10)37-12(34)14(21,22)16(25,26)18(30,31)32/h2-5,7H,6H2,1H3/b3-2+

InChI Key

SEPCGRZKBLLNAP-NSCUHMNNSA-N

Formula

C18H10F14O5

SMILES

COc1cc(C=CCOC(=O)C(F)(F)C(F)(F)C(F)(F)F)ccc1OC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

572.25

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8608		Relay (... Calculated Property
ΔfG°	-3009.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-3648.52	kJ/mol	Relay (... Calculated Property
ΔfusH°	41.24	kJ/mol	Joback Calculated Property
ΔvapH°	97.28	kJ/mol	Relay (... Calculated Property
IE	8.74	eV	Relay (... Calculated Property
log10WS	-7.99		Relay (... Calculated Property
logPoct/wat	5.823		Crippen Calculated Property
McVol	281.950	ml/mol	McGowan Calculated Property
Pc	1086.35	kPa	Joback Calculated Property
Inp	[1704.00; 1704.00]
Inp	1704.00		NIST
Inp	1704.00		NIST
Tboil	577.37	K	Relay (... Calculated Property
Tc	728.51	K	Relay (... Calculated Property
Tfus	364.60	K	Relay (... Calculated Property
Vc	1.054	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[878.55; 929.16]	J/mol×K	[797.44; 977.69]
Cp,gas	878.55	J/mol×K	797.44	Joback Calculated Property
Cp,gas	888.73	J/mol×K	827.48	Joback Calculated Property
Cp,gas	898.09	J/mol×K	857.52	Joback Calculated Property
Cp,gas	906.72	J/mol×K	887.57	Joback Calculated Property
Cp,gas	914.72	J/mol×K	917.61	Joback Calculated Property
Cp,gas	922.17	J/mol×K	947.65	Joback Calculated Property
Cp,gas	929.16	J/mol×K	977.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Coniferyl alcohol, bis(heptafluorobutyrate).

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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