Chemical Properties of (-)-Isolongifolol, heptafluorobutyrate

InChI

InChI=1S/C19H25F7O2/c1-15(2)7-4-8-16(3)11-6-5-10(13(11)15)12(16)9-28-14(27)17(20,21)18(22,23)19(24,25)26/h10-13H,4-9H2,1-3H3

InChI Key

UZBXZJGGLZIZQD-UHFFFAOYSA-N

Formula

C19H25F7O2

SMILES

CC1(C)CCCC2(C)C(COC(=O)C(F)(F)C(F)(F)C(F)(F)F)C3CCC2C31

Molecular Weight¹

418.39

• 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).
• 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
ΔfG°	-1356.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-1903.77	kJ/mol	Joback Calculated Property
ΔfusH°	27.89	kJ/mol	Joback Calculated Property
ΔvapH°	54.29	kJ/mol	Joback Calculated Property
log10WS	-6.16		Crippen Calculated Property
logPoct/wat	5.851		Crippen Calculated Property
McVol	265.820	ml/mol	McGowan Calculated Property
Pc	1254.81	kPa	Joback Calculated Property
Inp	[1678.00; 1678.00]
Inp	1678.00		NIST
Inp	1678.00		NIST
Tboil	710.84	K	Joback Calculated Property
Tc	898.97	K	Joback Calculated Property
Tfus	469.30	K	Joback Calculated Property
Vc	1.065	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[869.87; 978.78]	J/mol×K	[710.84; 898.97]
Cp,gas	869.87	J/mol×K	710.84	Joback Calculated Property
Cp,gas	889.29	J/mol×K	742.20	Joback Calculated Property
Cp,gas	907.93	J/mol×K	773.55	Joback Calculated Property
Cp,gas	925.98	J/mol×K	804.91	Joback Calculated Property
Cp,gas	943.66	J/mol×K	836.26	Joback Calculated Property
Cp,gas	961.19	J/mol×K	867.62	Joback Calculated Property
Cp,gas	978.78	J/mol×K	898.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to (-)-Isolongifolol, heptafluorobutyrate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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