Chemical Properties of (6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 3-chlorobenzoate

InChI

InChI=1S/C17H19ClO2/c1-17(2)13-7-6-12(15(17)9-13)10-20-16(19)11-4-3-5-14(18)8-11/h3-6,8,13,15H,7,9-10H2,1-2H3

InChI Key

XNSRECQDHQFWQH-UHFFFAOYSA-N

Formula

C17H19ClO2

SMILES

CC1(C)C2CC=C(COC(=O)c3cccc(Cl)c3)C1C2

Molecular Weight¹

290.79

• 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°	65.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-249.04	kJ/mol	Joback Calculated Property
ΔfusH°	30.20	kJ/mol	Joback Calculated Property
ΔvapH°	69.41	kJ/mol	Joback Calculated Property
log10WS	-5.08		Crippen Calculated Property
logPoct/wat	4.489		Crippen Calculated Property
McVol	220.290	ml/mol	McGowan Calculated Property
Pc	2053.03	kPa	Joback Calculated Property
Inp	[2128.00; 2128.00]
Inp	2128.00		NIST
Inp	2128.00		NIST
Tboil	751.20	K	Joback Calculated Property
Tc	987.96	K	Joback Calculated Property
Tfus	487.67	K	Joback Calculated Property
Vc	0.842	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[628.79; 726.61]	J/mol×K	[751.20; 987.96]
Cp,gas	628.79	J/mol×K	751.20	Joback Calculated Property
Cp,gas	646.22	J/mol×K	790.66	Joback Calculated Property
Cp,gas	662.92	J/mol×K	830.12	Joback Calculated Property
Cp,gas	679.11	J/mol×K	869.58	Joback Calculated Property
Cp,gas	694.98	J/mol×K	909.04	Joback Calculated Property
Cp,gas	710.75	J/mol×K	948.50	Joback Calculated Property
Cp,gas	726.61	J/mol×K	987.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to (6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 3-chlorobenzoate.

Sources

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

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