Chemical Properties of 2-(5-Methyl-5-vinyltetrahydrofuran-2-yl)propan-2-yl 3-chlorobenzoate

InChI

InChI=1S/C17H21ClO3/c1-5-17(4)10-9-14(20-17)16(2,3)21-15(19)12-7-6-8-13(18)11-12/h5-8,11,14H,1,9-10H2,2-4H3

InChI Key

NWVWKPPRSHNJPP-UHFFFAOYSA-N

Formula

C17H21ClO3

SMILES

C=CC1(C)CCC(C(C)(C)OC(=O)c2cccc(Cl)c2)O1

Molecular Weight¹

308.80

• 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°	-22.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-389.63	kJ/mol	Joback Calculated Property
ΔfusH°	28.41	kJ/mol	Joback Calculated Property
ΔvapH°	71.26	kJ/mol	Joback Calculated Property
log10WS	-5.34		Crippen Calculated Property
logPoct/wat	4.399		Crippen Calculated Property
McVol	237.020	ml/mol	McGowan Calculated Property
Pc	1921.98	kPa	Joback Calculated Property
Inp	[2024.00; 2024.00]
Inp	2024.00		NIST
Inp	2024.00		NIST
Tboil	764.99	K	Joback Calculated Property
Tc	1005.35	K	Joback Calculated Property
Tfus	480.16	K	Joback Calculated Property
Vc	0.881	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[683.15; 782.47]	J/mol×K	[764.99; 1005.35]
Cp,gas	683.15	J/mol×K	764.99	Joback Calculated Property
Cp,gas	701.18	J/mol×K	805.05	Joback Calculated Property
Cp,gas	718.36	J/mol×K	845.11	Joback Calculated Property
Cp,gas	734.87	J/mol×K	885.17	Joback Calculated Property
Cp,gas	750.92	J/mol×K	925.23	Joback Calculated Property
Cp,gas	766.72	J/mol×K	965.29	Joback Calculated Property
Cp,gas	782.47	J/mol×K	1005.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(5-Methyl-5-vinyltetrahydrofuran-2-yl)propan-2-yl 3-chlorobenzoate.

Sources

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

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