Chemical Properties of 3-(4-Hydroxy-3-methoxyphenyl)-2-oxopropyl benzoate (CAS 934248-67-6)

InChI

InChI=1S/C17H16O5/c1-21-16-10-12(7-8-15(16)19)9-14(18)11-22-17(20)13-5-3-2-4-6-13/h2-8,10,19H,9,11H2,1H3

InChI Key

CEBLIPZJHBZGKI-UHFFFAOYSA-N

Formula

C17H16O5

SMILES

COc1cc(CC(=O)COC(=O)c2ccccc2)ccc1O

Molecular Weight¹

300.31

CAS

934248-67-6

• 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°	-315.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-599.53	kJ/mol	Joback Calculated Property
ΔfusH°	38.84	kJ/mol	Joback Calculated Property
ΔvapH°	89.98	kJ/mol	Joback Calculated Property
log10WS	-3.11		Crippen Calculated Property
logPoct/wat	2.369		Crippen Calculated Property
McVol	223.620	ml/mol	McGowan Calculated Property
Pc	2597.78	kPa	Joback Calculated Property
Inp	[2537.30; 2537.30]
Inp	2537.30		NIST
Inp	2537.30		NIST
Tboil	879.90	K	Joback Calculated Property
Tc	1118.81	K	Joback Calculated Property
Tfus	602.75	K	Joback Calculated Property
Vc	0.785	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[659.49; 721.22]	J/mol×K	[879.90; 1118.81]
Cp,gas	659.49	J/mol×K	879.90	Joback Calculated Property
Cp,gas	671.71	J/mol×K	919.72	Joback Calculated Property
Cp,gas	683.04	J/mol×K	959.54	Joback Calculated Property
Cp,gas	693.58	J/mol×K	999.36	Joback Calculated Property
Cp,gas	703.40	J/mol×K	1039.17	Joback Calculated Property
Cp,gas	712.58	J/mol×K	1078.99	Joback Calculated Property
Cp,gas	721.22	J/mol×K	1118.81	Joback Calculated Property
η	[0.0000038; 0.0000565]	Pa×s	[602.75; 879.90]
η	0.0000565	Pa×s	602.75	Joback Calculated Property
η	0.0000307	Pa×s	648.94	Joback Calculated Property
η	0.0000181	Pa×s	695.13	Joback Calculated Property
η	0.0000114	Pa×s	741.33	Joback Calculated Property
η	0.0000075	Pa×s	787.52	Joback Calculated Property
η	0.0000052	Pa×s	833.71	Joback Calculated Property
η	0.0000038	Pa×s	879.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(4-Hydroxy-3-methoxyphenyl)-2-oxopropyl benzoate.

Sources

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

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