Chemical Properties of Butyric acid, 3-methyl-3-[2-isopropylphenyl]- (CAS 92300-81-7)

InChI

InChI=1S/C14H20O2/c1-10(2)11-7-5-6-8-12(11)14(3,4)9-13(15)16/h5-8,10H,9H2,1-4H3,(H,15,16)

InChI Key

DXOMBIDMLJEHGO-UHFFFAOYSA-N

Formula

C14H20O2

SMILES

CC(C)c1ccccc1C(C)(C)CC(=O)O

Molecular Weight¹

220.31

CAS

92300-81-7

• 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	0.7300		Relay (... Calculated Property
ΔfG°	-95.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-456.94	kJ/mol	Relay (... Calculated Property
ΔfusH°	20.42	kJ/mol	Joback Calculated Property
ΔvapH°	100.54	kJ/mol	Relay (... Calculated Property
IE	8.48	eV	Relay (... Calculated Property
log10WS	-3.43		Relay (... Calculated Property
logPoct/wat	3.562		Crippen Calculated Property
McVol	191.800	ml/mol	McGowan Calculated Property
Pc	2347.36	kPa	Joback Calculated Property
Inp	[1515.00; 1515.00]
Inp	1515.00		NIST
Inp	1515.00		NIST
Tboil	559.60	K	Relay (... Calculated Property
Tc	798.46	K	Relay (... Calculated Property
Tfus	351.09	K	Relay (... Calculated Property
Vc	0.669	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[530.43; 602.89]	J/mol×K	[693.76; 898.12]
Cp,gas	530.43	J/mol×K	693.76	Joback Calculated Property
Cp,gas	544.59	J/mol×K	727.82	Joback Calculated Property
Cp,gas	557.84	J/mol×K	761.88	Joback Calculated Property
Cp,gas	570.25	J/mol×K	795.94	Joback Calculated Property
Cp,gas	581.85	J/mol×K	830.00	Joback Calculated Property
Cp,gas	592.71	J/mol×K	864.06	Joback Calculated Property
Cp,gas	602.89	J/mol×K	898.12	Joback Calculated Property
η	[0.0000364; 0.0031609]	Pa×s	[384.65; 693.76]
η	0.0031609	Pa×s	384.65	Joback Calculated Property
η	0.0009676	Pa×s	436.17	Joback Calculated Property
η	0.0003804	Pa×s	487.69	Joback Calculated Property
η	0.0001787	Pa×s	539.21	Joback Calculated Property
η	0.0000958	Pa×s	590.72	Joback Calculated Property
η	0.0000568	Pa×s	642.24	Joback Calculated Property
η	0.0000364	Pa×s	693.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyric acid, 3-methyl-3-[2-isopropylphenyl]-.

Sources

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

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