Chemical Properties of Carbonic acid, propyl 4-benzyloxyphenyl ester

InChI

InChI=1S/C17H18O4/c1-2-12-19-17(18)21-16-10-8-15(9-11-16)20-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3

InChI Key

UZEZQAFDXMYNHE-UHFFFAOYSA-N

Formula

C17H18O4

SMILES

CCCOC(=O)Oc1ccc(OCc2ccccc2)cc1

Molecular Weight¹

286.32

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-517.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.22	kJ/mol	Joback Calculated Property
ΔvapH°	95.04	kJ/mol	Relay (1.0) Calculated Property
IE	8.21	eV	Relay (1.0) Calculated Property
log10WS	-4.77		Relay (1.0) Calculated Property
logPoct/wat	4.191		Crippen Calculated Property
McVol	222.050	ml/mol	McGowan Calculated Property
Pc	2007.30	kPa	Joback Calculated Property
Inp	[2312.00; 2312.00]
Inp	2312.00		NIST
Inp	2312.00		NIST
Tboil	645.24	K	Relay (1.0) Calculated Property
Tfus	311.05	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[301.30; 701.39]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.03330e+01
Coefficient B			1.22032e+00
Coefficient C			-5.79760e-04
Coefficient D			5.05000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	301.30	J/mol×K	273.00	Calculated Property
Cp,gas	371.73	J/mol×K	353.78	Calculated Property
Cp,gas	435.29	J/mol×K	434.56	Calculated Property
Cp,gas	492.15	J/mol×K	515.33	Calculated Property
Cp,gas	542.46	J/mol×K	596.11	Calculated Property
Cp,gas	586.38	J/mol×K	676.89	Calculated Property
Cp,gas	624.08	J/mol×K	757.67	Calculated Property
Cp,gas	655.70	J/mol×K	838.44	Calculated Property
Cp,gas	681.42	J/mol×K	919.22	Calculated Property
Cp,gas	701.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006934; 0.0000812]	Pa×s	[433.50; 680.62]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.31809e+01
Coefficient B			2.56064e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			433.50
Temperature range, max.			680.62
η	0.0006934	Pa×s	433.50	Calculated Property
η	0.0004877	Pa×s	460.96	Calculated Property
η	0.0003569	Pa×s	488.42	Calculated Property
η	0.0002700	Pa×s	515.87	Calculated Property
η	0.0002101	Pa×s	543.33	Calculated Property
η	0.0001675	Pa×s	570.79	Calculated Property
η	0.0001363	Pa×s	598.25	Calculated Property
η	0.0001130	Pa×s	625.71	Calculated Property
η	0.0000951	Pa×s	653.17	Calculated Property
η	0.0000812	Pa×s	680.62	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, propyl 4-benzyloxyphenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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