Chemical Properties of Phthalic acid, 2,4-dimethylpent-3-yl propyl ester

InChI

InChI=1S/C18H26O4/c1-6-11-21-17(19)14-9-7-8-10-15(14)18(20)22-16(12(2)3)13(4)5/h7-10,12-13,16H,6,11H2,1-5H3

InChI Key

AEGQBLZNDDUQRO-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

CCCOC(=O)c1ccccc1C(=O)OC(C(C)C)C(C)C

Molecular Weight¹

306.40

• 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).
• 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	0.8019		Relay (1.0) Calculated Property
ΔfH°gas	-792.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.20	kJ/mol	Joback Calculated Property
ΔvapH°	82.03	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.72		Relay (1.0) Calculated Property
logPoct/wat	4.091		Crippen Calculated Property
McVol	255.600	ml/mol	McGowan Calculated Property
Pc	1483.85	kPa	Joback Calculated Property
Inp	[2015.00; 2015.00]
Inp	2015.00		NIST
Inp	2015.00		NIST
Tboil	613.18	K	Relay (1.0) Calculated Property
Tc	806.30	K	Relay (1.0) Calculated Property
Tfus	259.84	K	Relay (1.0) Calculated Property
Vc	0.925	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy 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	[750.50; 833.15]	J/mol×K	[758.22; 961.25]
Cp,gas	750.50	J/mol×K	758.22	Joback Calculated Property
Cp,gas	767.25	J/mol×K	792.06	Joback Calculated Property
Cp,gas	782.78	J/mol×K	825.90	Joback Calculated Property
Cp,gas	797.12	J/mol×K	859.74	Joback Calculated Property
Cp,gas	810.28	J/mol×K	893.57	Joback Calculated Property
Cp,gas	822.28	J/mol×K	927.41	Joback Calculated Property
Cp,gas	833.15	J/mol×K	961.25	Joback Calculated Property
η	[0.0000442; 0.0023207]	Pa×s	[371.22; 758.22]
η	0.0023207	Pa×s	371.22	Joback Calculated Property
η	0.0007359	Pa×s	435.72	Joback Calculated Property
η	0.0003138	Pa×s	500.22	Joback Calculated Property
η	0.0001625	Pa×s	564.72	Joback Calculated Property
η	0.0000964	Pa×s	629.22	Joback Calculated Property
η	0.0000630	Pa×s	693.72	Joback Calculated Property
η	0.0000442	Pa×s	758.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2,4-dimethylpent-3-yl propyl ester.

Sources

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

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