Chemical Properties of Perillyl benzoate (CAS 73524-02-4)

InChI

InChI=1S/C17H20O2/c1-13(2)15-10-8-14(9-11-15)12-19-17(18)16-6-4-3-5-7-16/h3-8,15H,1,9-12H2,2H3

InChI Key

AKJMZNHWFFRVTF-UHFFFAOYSA-N

Formula

C17H20O2

SMILES

C=C(C)C1CC=C(COC(=O)c2ccccc2)CC1

Molecular Weight¹

256.34

CAS

73524-02-4

• 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°	94.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-186.21	kJ/mol	Joback Calculated Property
ΔfusH°	26.69	kJ/mol	Joback Calculated Property
ΔvapH°	65.66	kJ/mol	Joback Calculated Property
log10WS	-4.84		Crippen Calculated Property
logPoct/wat	4.146		Crippen Calculated Property
McVol	214.610	ml/mol	McGowan Calculated Property
Pc	2066.12	kPa	Joback Calculated Property
Inp	[2067.50; 2067.50]
Inp	2067.50		NIST
Inp	2067.50		NIST
Tboil	711.58	K	Joback Calculated Property
Tc	944.42	K	Joback Calculated Property
Tfus	384.87	K	Joback Calculated Property
Vc	0.804	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[599.68; 691.78]	J/mol×K	[711.58; 944.42]
Cp,gas	599.68	J/mol×K	711.58	Joback Calculated Property
Cp,gas	618.36	J/mol×K	750.39	Joback Calculated Property
Cp,gas	635.63	J/mol×K	789.19	Joback Calculated Property
Cp,gas	651.55	J/mol×K	828.00	Joback Calculated Property
Cp,gas	666.18	J/mol×K	866.81	Joback Calculated Property
Cp,gas	679.57	J/mol×K	905.62	Joback Calculated Property
Cp,gas	691.78	J/mol×K	944.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Perillyl benzoate.

Sources

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

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