Chemical Properties of BUTYRIC ACID, 3-METHYL-3-[2-ISOPROPYLPHENYL]-

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

• 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).
• 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
ΔfH°gas	-456.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.87	kJ/mol	Joback Calculated Property
ΔvapH°	100.49	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.562		Crippen Calculated Property
McVol	191.800	ml/mol	McGowan Calculated Property
Pc	2204.15	kPa	Joback Calculated Property
Inp	[1515.00; 1515.00]
Inp	1515.00		NIST
Inp	1515.00		NIST
Tboil	559.60	K	Relay (1.0) Calculated Property
Tc	805.08	K	Relay (1.0) Calculated Property
Tfus	342.88	K	Relay (1.0) Calculated Property
Vc	0.678	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[533.10; 610.64]	J/mol×K	[693.42; 915.45]
Cp,gas	533.10	J/mol×K	693.42	Joback Calculated Property
Cp,gas	548.43	J/mol×K	730.42	Joback Calculated Property
Cp,gas	562.70	J/mol×K	767.43	Joback Calculated Property
Cp,gas	575.97	J/mol×K	804.43	Joback Calculated Property
Cp,gas	588.34	J/mol×K	841.44	Joback Calculated Property
Cp,gas	599.86	J/mol×K	878.44	Joback Calculated Property
Cp,gas	610.64	J/mol×K	915.45	Joback Calculated Property
η	[0.0001098; 0.0010784]	Pa×s	[434.50; 693.42]
η	0.0010784	Pa×s	434.50	Joback Calculated Property
η	0.0006205	Pa×s	477.65	Joback Calculated Property
η	0.0003913	Pa×s	520.81	Joback Calculated Property
η	0.0002648	Pa×s	563.96	Joback Calculated Property
η	0.0001894	Pa×s	607.11	Joback Calculated Property
η	0.0001416	Pa×s	650.27	Joback Calculated Property
η	0.0001098	Pa×s	693.42	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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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