Chemical Properties of 3-Heptafluorobutyryloxy-4-methoxybenzyl alcohol, O-pentafluoropropionyl-

InChI

InChI=1S/C15H8F12O5/c1-30-7-3-2-6(5-31-9(28)12(18,19)14(22,23)24)4-8(7)32-10(29)11(16,17)13(20,21)15(25,26)27/h2-4H,5H2,1H3

InChI Key

NZHYSFOYCDBYFI-UHFFFAOYSA-N

Formula

C15H8F12O5

SMILES

COc1ccc(COC(=O)C(F)(F)C(F)(F)F)cc1OC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

496.20

• 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	0.8195		Relay (1.0) Calculated Property
ΔfG°	-2727.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-3255.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.52	kJ/mol	Joback Calculated Property
ΔvapH°	85.30	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-6.73		Relay (1.0) Calculated Property
logPoct/wat	4.674		Crippen Calculated Property
McVol	240.440	ml/mol	McGowan Calculated Property
Pc	1344.71	kPa	Joback Calculated Property
Inp	[1409.00; 1409.00]
Inp	1409.00		NIST
Inp	1409.00		NIST
Tboil	528.61	K	Relay (1.0) Calculated Property
Tc	695.93	K	Relay (1.0) Calculated Property
Tfus	313.57	K	Relay (1.0) Calculated Property
Vc	0.916	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[725.51; 775.34]	J/mol×K	[729.33; 901.63]
Cp,gas	725.51	J/mol×K	729.33	Joback Calculated Property
Cp,gas	735.67	J/mol×K	758.05	Joback Calculated Property
Cp,gas	745.01	J/mol×K	786.76	Joback Calculated Property
Cp,gas	753.60	J/mol×K	815.48	Joback Calculated Property
Cp,gas	761.48	J/mol×K	844.20	Joback Calculated Property
Cp,gas	768.71	J/mol×K	872.91	Joback Calculated Property
Cp,gas	775.34	J/mol×K	901.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Heptafluorobutyryloxy-4-methoxybenzyl alcohol, O-pentafluoropropionyl-.

Sources

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

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