Chemical Properties of 2-(2-Butenylidene)-3,3-dimethyl-5-(2-oxopropyl)tetrahydrofuran, diastereomer 1

InChI

InChI=1S/C13H20O2/c1-5-6-7-12-13(3,4)9-11(15-12)8-10(2)14/h5-7,11H,8-9H2,1-4H3/b6-5+,12-7?

InChI Key

SUQDFKVIGVYZSR-QYHKEWNESA-N

Formula

C13H20O2

SMILES

CC=CC=C1OC(CC(C)=O)CC1(C)C

Molecular Weight¹

208.30

• 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 : 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	0.4286		Relay (1.0) Calculated Property
ΔfG°	-7.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-370.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.24	kJ/mol	Joback Calculated Property
ΔvapH°	67.11	kJ/mol	Relay (1.0) Calculated Property
IE	7.86	eV	Relay (1.0) Calculated Property
log10WS	-2.75		Relay (1.0) Calculated Property
logPoct/wat	3.241		Crippen Calculated Property
McVol	182.010	ml/mol	McGowan Calculated Property
Pc	2185.64	kPa	Joback Calculated Property
I	[2094.00; 2094.00]
I	2094.00		NIST
I	2094.00		NIST
Tboil	512.71	K	Relay (1.0) Calculated Property
Tc	718.12	K	Relay (1.0) Calculated Property
Tfus	316.63	K	Relay (1.0) Calculated Property
Vc	0.620	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[469.91; 561.10]	J/mol×K	[599.31; 811.63]
Cp,gas	469.91	J/mol×K	599.31	Joback Calculated Property
Cp,gas	487.10	J/mol×K	634.70	Joback Calculated Property
Cp,gas	503.33	J/mol×K	670.08	Joback Calculated Property
Cp,gas	518.71	J/mol×K	705.47	Joback Calculated Property
Cp,gas	533.39	J/mol×K	740.85	Joback Calculated Property
Cp,gas	547.47	J/mol×K	776.24	Joback Calculated Property
Cp,gas	561.10	J/mol×K	811.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(2-Butenylidene)-3,3-dimethyl-5-(2-oxopropyl)tetrahydrofuran, diastereomer 1.

Sources

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

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