Chemical Properties of (1R,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl 3-chlorobenzoate

InChI

InChI=1S/C17H21ClO2/c1-16(2)12-7-8-17(16,3)14(10-12)20-15(19)11-5-4-6-13(18)9-11/h4-6,9,12,14H,7-8,10H2,1-3H3

InChI Key

FURJZQGTPYIXDV-UHFFFAOYSA-N

Formula

C17H21ClO2

SMILES

CC1(C)C2CCC1(C)C(OC(=O)c1cccc(Cl)c1)C2

Molecular Weight¹

292.80

• 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°	32.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-300.45	kJ/mol	Joback Calculated Property
ΔfusH°	24.14	kJ/mol	Joback Calculated Property
ΔvapH°	66.99	kJ/mol	Joback Calculated Property
log10WS	-5.34		Crippen Calculated Property
logPoct/wat	4.712		Crippen Calculated Property
McVol	224.590	ml/mol	McGowan Calculated Property
Pc	2036.39	kPa	Joback Calculated Property
Inp	[2100.00; 2100.00]
Inp	2100.00		NIST
Inp	2100.00		NIST
Tboil	742.63	K	Joback Calculated Property
Tc	984.98	K	Joback Calculated Property
Tfus	494.05	K	Joback Calculated Property
Vc	0.853	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[653.46; 771.72]	J/mol×K	[742.63; 984.98]
Cp,gas	653.46	J/mol×K	742.63	Joback Calculated Property
Cp,gas	673.02	J/mol×K	783.02	Joback Calculated Property
Cp,gas	692.20	J/mol×K	823.41	Joback Calculated Property
Cp,gas	711.33	J/mol×K	863.80	Joback Calculated Property
Cp,gas	730.73	J/mol×K	904.20	Joback Calculated Property
Cp,gas	750.75	J/mol×K	944.59	Joback Calculated Property
Cp,gas	771.72	J/mol×K	984.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1R,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl 3-chlorobenzoate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.