Chemical Properties of Carbonic acid, isobutyl 4-benzyloxyphenyl ester

InChI

InChI=1S/C18H20O4/c1-14(2)12-21-18(19)22-17-10-8-16(9-11-17)20-13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3

InChI Key

DWPQVUKZZZKNOC-UHFFFAOYSA-N

Formula

C18H20O4

SMILES

CC(C)COC(=O)Oc1ccc(OCc2ccccc2)cc1

Molecular Weight¹

300.35

• 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).
• 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	-542.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.29	kJ/mol	Joback Calculated Property
ΔvapH°	96.76	kJ/mol	Relay (1.0) Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-4.93		Relay (1.0) Calculated Property
logPoct/wat	4.437		Crippen Calculated Property
McVol	236.140	ml/mol	McGowan Calculated Property
Inp	[2374.00; 2374.00]
Inp	2374.00		NIST
Inp	2374.00		NIST
Tboil	648.89	K	Relay (1.0) Calculated Property
Tfus	325.70	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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	[322.20; 753.52]	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			7.74200e+00
Coefficient B			1.32124e+00
Coefficient C			-6.37360e-04
Coefficient D			6.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	322.20	J/mol×K	273.00	Calculated Property
Cp,gas	398.14	J/mol×K	353.78	Calculated Property
Cp,gas	466.62	J/mol×K	434.56	Calculated Property
Cp,gas	527.83	J/mol×K	515.33	Calculated Property
Cp,gas	581.98	J/mol×K	596.11	Calculated Property
Cp,gas	629.25	J/mol×K	676.89	Calculated Property
Cp,gas	669.84	J/mol×K	757.67	Calculated Property
Cp,gas	703.96	J/mol×K	838.44	Calculated Property
Cp,gas	731.78	J/mol×K	919.22	Calculated Property
Cp,gas	753.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007460; 0.0000677]	Pa×s	[429.77; 696.64]	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			-1.34660e+01
Coefficient B			2.69262e+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.			429.77
Temperature range, max.			696.64
η	0.0007460	Pa×s	429.77	Calculated Property
η	0.0004979	Pa×s	459.42	Calculated Property
η	0.0003490	Pa×s	489.07	Calculated Property
η	0.0002548	Pa×s	518.73	Calculated Property
η	0.0001924	Pa×s	548.38	Calculated Property
η	0.0001496	Pa×s	578.03	Calculated Property
η	0.0001192	Pa×s	607.68	Calculated Property
η	0.0000970	Pa×s	637.34	Calculated Property
η	0.0000804	Pa×s	666.99	Calculated Property
η	0.0000677	Pa×s	696.64	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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