Chemical Properties of Isobutyl furfuryl sulfide

InChI

InChI=1S/C11H18S/c1-10(2)7-8-12-9-11-5-3-4-6-11/h3-5,10H,6-9H2,1-2H3

InChI Key

NXPWMLYKOOSTEU-UHFFFAOYSA-N

Formula

C11H18S

SMILES

CC(C)CCSCC1=CC=CC1

Molecular Weight¹

182.33

• 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	0.3544		Relay (1.0) Calculated Property
ΔfG°	166.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-35.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.77	kJ/mol	Joback Calculated Property
ΔvapH°	62.98	kJ/mol	Relay (1.0) Calculated Property
IE	7.85	eV	Relay (1.0) Calculated Property
log10WS	-3.93		Relay (1.0) Calculated Property
logPoct/wat	3.652		Crippen Calculated Property
McVol	162.740	ml/mol	McGowan Calculated Property
Pc	2553.34	kPa	Joback Calculated Property
Inp	[1201.00; 1214.00]
Inp	1209.00		NIST
Inp	1212.00		NIST
Inp	1214.00		NIST
Inp	1201.00		NIST
Inp	1207.00		NIST
Inp	1202.00		NIST
Inp	1201.00		NIST
Tboil	510.22	K	Relay (1.0) Calculated Property
Tc	713.13	K	Relay (1.0) Calculated Property
Tfus	228.21	K	Relay (1.0) Calculated Property
Vc	0.572	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[374.26; 461.43]	J/mol×K	[542.67; 759.88]
Cp,gas	374.26	J/mol×K	542.67	Joback Calculated Property
Cp,gas	391.14	J/mol×K	578.87	Joback Calculated Property
Cp,gas	407.03	J/mol×K	615.07	Joback Calculated Property
Cp,gas	421.96	J/mol×K	651.28	Joback Calculated Property
Cp,gas	435.98	J/mol×K	687.48	Joback Calculated Property
Cp,gas	449.12	J/mol×K	723.68	Joback Calculated Property
Cp,gas	461.43	J/mol×K	759.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isobutyl furfuryl sulfide.

Sources

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

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