Chemical Properties of 3-Pentafluoropropionyloxy-4-methoxybenzyl alcohol, O-heptafluorobutyryl-

InChI

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

InChI Key

NIKNBIGAMDVOGQ-UHFFFAOYSA-N

Formula

C15H8F12O5

SMILES

COc1ccc(COC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1OC(=O)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	0.8203		Relay (1.0) Calculated Property
ΔfG°	-2727.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-3256.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.52	kJ/mol	Joback Calculated Property
ΔvapH°	85.32	kJ/mol	Relay (1.0) Calculated Property
IE	9.15	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	[1403.00; 1403.00]
Inp	1403.00		NIST
Inp	1403.00		NIST
Tboil	528.15	K	Relay (1.0) Calculated Property
Tc	695.60	K	Relay (1.0) Calculated Property
Tfus	313.05	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-Pentafluoropropionyloxy-4-methoxybenzyl alcohol, O-heptafluorobutyryl-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.