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

• ω : Acentric Factor.
• 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).
• 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_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
ω	0.8122		Relay (1.0) Calculated Property
ΔfG°	-130.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-542.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.71	kJ/mol	Joback Calculated Property
ΔvapH°	95.98	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
Pc	1925.36	kPa	Joback Calculated Property
Inp	[2374.00; 2374.00]
Inp	2374.00		NIST
Inp	2374.00		NIST
Tboil	648.89	K	Relay (1.0) Calculated Property
Tc	858.27	K	Relay (1.0) Calculated Property
Tfus	328.98	K	Relay (1.0) Calculated Property
Vc	0.871	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[681.66; 756.46]	J/mol×K	[790.27; 1014.75]
Cp,gas	681.66	J/mol×K	790.27	Joback Calculated Property
Cp,gas	697.33	J/mol×K	827.68	Joback Calculated Property
Cp,gas	711.69	J/mol×K	865.10	Joback Calculated Property
Cp,gas	724.77	J/mol×K	902.51	Joback Calculated Property
Cp,gas	736.58	J/mol×K	939.92	Joback Calculated Property
Cp,gas	747.14	J/mol×K	977.34	Joback Calculated Property
Cp,gas	756.46	J/mol×K	1014.75	Joback Calculated Property
η	[0.0000524; 0.0005967]	Pa×s	[459.60; 790.27]
η	0.0005967	Pa×s	459.60	Joback Calculated Property
η	0.0003203	Pa×s	514.71	Joback Calculated Property
η	0.0001939	Pa×s	569.82	Joback Calculated Property
η	0.0001282	Pa×s	624.93	Joback Calculated Property
η	0.0000907	Pa×s	680.05	Joback Calculated Property
η	0.0000676	Pa×s	735.16	Joback Calculated Property
η	0.0000524	Pa×s	790.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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