Chemical Properties of Carbonic acid, isobutyl phenyl ester (CAS 13183-18-1)

InChI

InChI=1S/C11H14O3/c1-9(2)8-13-11(12)14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChI Key

MTFSSQVLWRFNAZ-UHFFFAOYSA-N

Formula

C11H14O3

SMILES

CC(C)COC(=O)Oc1ccccc1

Molecular Weight¹

194.23

CAS

13183-18-1

Other Names

• Isobutyl phenyl carbonate
• Phenol, isoBOC

• 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	0.6067		Relay (1.0) Calculated Property
ΔfH°gas	-506.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.32	kJ/mol	Joback Calculated Property
ΔvapH°	68.42	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-3.34		Relay (1.0) Calculated Property
logPoct/wat	2.858		Crippen Calculated Property
McVol	155.400	ml/mol	McGowan Calculated Property
Pc	2637.96	kPa	Joback Calculated Property
Inp	[1388.00; 1398.00]
Inp	1398.00		NIST
Inp	1388.00		NIST
Inp	1398.00		NIST
Inp	1388.00		NIST
Tboil	514.94	K	Relay (1.0) Calculated Property
Tc	706.99	K	Relay (1.0) Calculated Property
Tfus	256.65	K	Relay (1.0) Calculated Property
Vc	0.576	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	[367.05; 443.72]	J/mol×K	[558.16; 767.20]
Cp,gas	367.05	J/mol×K	558.16	Joback Calculated Property
Cp,gas	381.89	J/mol×K	593.00	Joback Calculated Property
Cp,gas	395.90	J/mol×K	627.84	Joback Calculated Property
Cp,gas	409.08	J/mol×K	662.68	Joback Calculated Property
Cp,gas	421.44	J/mol×K	697.52	Joback Calculated Property
Cp,gas	432.98	J/mol×K	732.36	Joback Calculated Property
Cp,gas	443.72	J/mol×K	767.20	Joback Calculated Property
η	[0.0001396; 0.0034351]	Pa×s	[289.71; 558.16]
η	0.0034351	Pa×s	289.71	Joback Calculated Property
η	0.0014094	Pa×s	334.45	Joback Calculated Property
η	0.0007136	Pa×s	379.19	Joback Calculated Property
η	0.0004171	Pa×s	423.94	Joback Calculated Property
η	0.0002701	Pa×s	468.68	Joback Calculated Property
η	0.0001887	Pa×s	513.42	Joback Calculated Property
η	0.0001396	Pa×s	558.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, isobutyl phenyl ester.

Sources

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

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