Chemical Properties of Carbonic acid, butyl 4-benzyloxyphenyl ester

InChI

InChI=1S/C18H20O4/c1-2-3-13-20-18(19)22-17-11-9-16(10-12-17)21-14-15-7-5-4-6-8-15/h4-12H,2-3,13-14H2,1H3

InChI Key

DHCGHGSLRADEDL-UHFFFAOYSA-N

Formula

C18H20O4

SMILES

CCCCOC(=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_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	0.8498		Relay (1.0) Calculated Property
ΔfH°gas	-535.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.81	kJ/mol	Joback Calculated Property
ΔvapH°	99.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
log10WS	-5.04		Relay (1.0) Calculated Property
logPoct/wat	4.581		Crippen Calculated Property
McVol	236.140	ml/mol	McGowan Calculated Property
Pc	1845.16	kPa	Joback Calculated Property
Inp	[2421.00; 2421.00]
Inp	2421.00		NIST
Inp	2421.00		NIST
Tboil	651.43	K	Relay (1.0) Calculated Property
Tc	861.35	K	Relay (1.0) Calculated Property
Tfus	300.83	K	Relay (1.0) Calculated Property
Vc	0.877	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[675.99; 751.10]	J/mol×K	[772.84; 992.07]
Cp,gas	675.99	J/mol×K	772.84	Joback Calculated Property
Cp,gas	691.67	J/mol×K	809.38	Joback Calculated Property
Cp,gas	706.06	J/mol×K	845.92	Joback Calculated Property
Cp,gas	719.18	J/mol×K	882.46	Joback Calculated Property
Cp,gas	731.05	J/mol×K	919.00	Joback Calculated Property
Cp,gas	741.68	J/mol×K	955.53	Joback Calculated Property
Cp,gas	751.10	J/mol×K	992.07	Joback Calculated Property
η	[0.0000503; 0.0006342]	Pa×s	[444.77; 772.84]
η	0.0006342	Pa×s	444.77	Joback Calculated Property
η	0.0003299	Pa×s	499.45	Joback Calculated Property
η	0.0001953	Pa×s	554.13	Joback Calculated Property
η	0.0001270	Pa×s	608.80	Joback Calculated Property
η	0.0000887	Pa×s	663.48	Joback Calculated Property
η	0.0000654	Pa×s	718.16	Joback Calculated Property
η	0.0000503	Pa×s	772.84	Joback Calculated Property

Similar Compounds

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

Sources

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

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