Chemical Properties of Febutol

InChI

InChI=1S/C32H48O2S2/c1-19(2)28(35-20-15-22(29(3,4)5)26(33)23(16-20)30(6,7)8)36-21-17-24(31(9,10)11)27(34)25(18-21)32(12,13)14/h15-18,33-34H,1-14H3

InChI Key

IMLBXHMGSBYKDH-UHFFFAOYSA-N

Formula

C32H48O2S2

SMILES

CC(C)=C(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

Molecular Weight¹

528.85

• 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	0.9879		Relay (1.0) Calculated Property
ΔfG°	236.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-427.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.91	kJ/mol	Joback Calculated Property
ΔvapH°	141.74	kJ/mol	Relay (1.0) Calculated Property
IE	6.99	eV	Relay (1.0) Calculated Property
log10WS	-9.58		Relay (1.0) Calculated Property
logPoct/wat	10.424		Crippen Calculated Property
McVol	454.360	ml/mol	McGowan Calculated Property
Pc	965.67	kPa	Joback Calculated Property
Inp	[2010.00; 2010.00]
Inp	2010.00		NIST
Inp	2010.00		NIST
Tboil	686.24	K	Relay (1.0) Calculated Property
Tc	1037.21	K	Relay (1.0) Calculated Property
Tfus	399.91	K	Relay (1.0) Calculated Property
Vc	1.642	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1696.12; 2008.04]	J/mol×K	[1294.64; 1585.49]
Cp,gas	1696.12	J/mol×K	1294.64	Joback Calculated Property
Cp,gas	1736.85	J/mol×K	1343.12	Joback Calculated Property
Cp,gas	1781.30	J/mol×K	1391.59	Joback Calculated Property
Cp,gas	1830.04	J/mol×K	1440.07	Joback Calculated Property
Cp,gas	1883.69	J/mol×K	1488.54	Joback Calculated Property
Cp,gas	1942.82	J/mol×K	1537.02	Joback Calculated Property
Cp,gas	2008.04	J/mol×K	1585.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Febutol.

Sources

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

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