Chemical Properties of Dihydroconiferyl benzoate (CAS 147318-30-7)

InChI

InChI=1S/C17H18O4/c1-20-16-12-13(9-10-15(16)18)6-5-11-21-17(19)14-7-3-2-4-8-14/h2-4,7-10,12,18H,5-6,11H2,1H3

InChI Key

PNPIRUVVJOWCSW-UHFFFAOYSA-N

Formula

C17H18O4

SMILES

COc1cc(CCCOC(=O)c2ccccc2)ccc1O

Molecular Weight¹

286.32

CAS

147318-30-7

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-186.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-486.95	kJ/mol	Joback Calculated Property
ΔfusH°	37.24	kJ/mol	Joback Calculated Property
ΔvapH°	83.23	kJ/mol	Joback Calculated Property
log10WS	-3.83		Crippen Calculated Property
logPoct/wat	3.190		Crippen Calculated Property
McVol	222.050	ml/mol	McGowan Calculated Property
Pc	2438.65	kPa	Joback Calculated Property
Inp	[2424.10; 2424.10]
Inp	2424.10		NIST
Inp	2424.10		NIST
Tboil	826.03	K	Joback Calculated Property
Tc	1059.77	K	Joback Calculated Property
Tfus	552.82	K	Joback Calculated Property
Vc	0.779	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[649.50; 720.29]	J/mol×K	[826.03; 1059.77]
Cp,gas	649.50	J/mol×K	826.03	Joback Calculated Property
Cp,gas	663.38	J/mol×K	864.99	Joback Calculated Property
Cp,gas	676.32	J/mol×K	903.94	Joback Calculated Property
Cp,gas	688.40	J/mol×K	942.90	Joback Calculated Property
Cp,gas	699.70	J/mol×K	981.86	Joback Calculated Property
Cp,gas	710.31	J/mol×K	1020.81	Joback Calculated Property
Cp,gas	720.29	J/mol×K	1059.77	Joback Calculated Property
η	[0.0000046; 0.0000872]	Pa×s	[552.82; 826.03]
η	0.0000872	Pa×s	552.82	Joback Calculated Property
η	0.0000442	Pa×s	598.36	Joback Calculated Property
η	0.0000247	Pa×s	643.89	Joback Calculated Property
η	0.0000149	Pa×s	689.42	Joback Calculated Property
η	0.0000096	Pa×s	734.96	Joback Calculated Property
η	0.0000065	Pa×s	780.50	Joback Calculated Property
η	0.0000046	Pa×s	826.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dihydroconiferyl benzoate.

Sources

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

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