Chemical Properties of Bis(3-methylbutan-2-yl) phthalate

InChI

InChI=1S/C18H26O4/c1-11(2)13(5)21-17(19)15-9-7-8-10-16(15)18(20)22-14(6)12(3)4/h7-14H,1-6H3

InChI Key

KYBCYUKYPGQBSB-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

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

Molecular Weight¹

306.40

Other Names

• 1,2-Benzenedicarboxylic acid, bis(3-methylbutan-2-yl) ester
• Bis(3-methylbutan-2-yl)-1,2-benzenedicarboxylate

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-829.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.67	kJ/mol	Joback Calculated Property
ΔvapH°	81.03	kJ/mol	Relay (1.0) Calculated Property
IE	9.19	eV	Relay (1.0) Calculated Property
log10WS	-4.47		Relay (1.0) Calculated Property
logPoct/wat	4.089		Crippen Calculated Property
McVol	255.600	ml/mol	McGowan Calculated Property
Pc	1493.04	kPa	Joback Calculated Property
Inp	[1991.00; 1991.00]
Inp	1991.00		NIST
Inp	1991.00		NIST
Tboil	593.83	K	Relay (1.0) Calculated Property
Tc	800.52	K	Relay (1.0) Calculated Property
Tfus	287.68	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[751.02; 834.51]	J/mol×K	[757.78; 963.75]
Cp,gas	751.02	J/mol×K	757.78	Joback Calculated Property
Cp,gas	768.02	J/mol×K	792.11	Joback Calculated Property
Cp,gas	783.76	J/mol×K	826.44	Joback Calculated Property
Cp,gas	798.26	J/mol×K	860.76	Joback Calculated Property
Cp,gas	811.53	J/mol×K	895.09	Joback Calculated Property
Cp,gas	823.61	J/mol×K	929.42	Joback Calculated Property
Cp,gas	834.51	J/mol×K	963.75	Joback Calculated Property
η	[0.0000407; 0.0031292]	Pa×s	[356.22; 757.78]
η	0.0031292	Pa×s	356.22	Joback Calculated Property
η	0.0008565	Pa×s	423.15	Joback Calculated Property
η	0.0003340	Pa×s	490.07	Joback Calculated Property
η	0.0001633	Pa×s	557.00	Joback Calculated Property
η	0.0000931	Pa×s	623.93	Joback Calculated Property
η	0.0000592	Pa×s	690.85	Joback Calculated Property
η	0.0000407	Pa×s	757.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bis(3-methylbutan-2-yl) phthalate.

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.
These property values are available through the Cheméo API. A free account gives you an access key.