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

InChI

InChI=1S/C27H44O4/c1-6-7-8-9-10-11-12-13-14-17-20-30-26(28)23-18-15-16-19-24(23)27(29)31-25(21(2)3)22(4)5/h15-16,18-19,21-22,25H,6-14,17,20H2,1-5H3

InChI Key

SKVWVZAAEKKUJI-UHFFFAOYSA-N

Formula

C27H44O4

SMILES

CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC(C(C)C)C(C)C

Molecular Weight¹

432.64

• 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	1.1499		Relay (1.0) Calculated Property
ΔfH°gas	-973.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.51	kJ/mol	Joback Calculated Property
ΔvapH°	114.83	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.39		Relay (1.0) Calculated Property
logPoct/wat	7.602		Crippen Calculated Property
McVol	382.410	ml/mol	McGowan Calculated Property
Pc	835.31	kPa	Joback Calculated Property
Inp	[2901.00; 2901.00]
Inp	2901.00		NIST
Inp	2901.00		NIST
Tboil	674.36	K	Relay (1.0) Calculated Property
Tc	885.17	K	Relay (1.0) Calculated Property
Tfus	274.03	K	Relay (1.0) Calculated Property
Vc	1.413	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	[1291.06; 1372.51]	J/mol×K	[964.14; 1180.39]
Cp,gas	1291.06	J/mol×K	964.14	Joback Calculated Property
Cp,gas	1308.64	J/mol×K	1000.18	Joback Calculated Property
Cp,gas	1324.54	J/mol×K	1036.22	Joback Calculated Property
Cp,gas	1338.82	J/mol×K	1072.26	Joback Calculated Property
Cp,gas	1351.54	J/mol×K	1108.31	Joback Calculated Property
Cp,gas	1362.75	J/mol×K	1144.35	Joback Calculated Property
Cp,gas	1372.51	J/mol×K	1180.39	Joback Calculated Property
η	[0.0000111; 0.0006211]	Pa×s	[472.65; 964.14]
η	0.0006211	Pa×s	472.65	Joback Calculated Property
η	0.0001937	Pa×s	554.57	Joback Calculated Property
η	0.0000816	Pa×s	636.48	Joback Calculated Property
η	0.0000418	Pa×s	718.39	Joback Calculated Property
η	0.0000246	Pa×s	800.31	Joback Calculated Property
η	0.0000160	Pa×s	882.22	Joback Calculated Property
η	0.0000111	Pa×s	964.14	Joback Calculated Property

Similar Compounds

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

Sources

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

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