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

InChI

InChI=1S/C28H46O4/c1-6-8-9-10-11-12-13-14-15-16-19-22-31-26(29)23-20-17-18-21-24(23)27(30)32-25(7-2)28(3,4)5/h17-18,20-21,25H,6-16,19,22H2,1-5H3

InChI Key

URMKTKZPTSXJHG-UHFFFAOYSA-N

Formula

C28H46O4

SMILES

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

Molecular Weight¹

446.66

• 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	1.1831		Relay (1.0) Calculated Property
ΔfG°	-179.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-1005.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.57	kJ/mol	Joback Calculated Property
ΔvapH°	117.42	kJ/mol	Relay (1.0) Calculated Property
IE	9.28	eV	Relay (1.0) Calculated Property
log10WS	-7.97		Relay (1.0) Calculated Property
logPoct/wat	8.136		Crippen Calculated Property
McVol	396.500	ml/mol	McGowan Calculated Property
Pc	830.02	kPa	Joback Calculated Property
Inp	[2224.00; 2224.00]
Inp	2224.00		NIST
Inp	2224.00		NIST
Tboil	682.39	K	Relay (1.0) Calculated Property
Tc	891.25	K	Relay (1.0) Calculated Property
Tfus	300.99	K	Relay (1.0) Calculated Property
Vc	1.473	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1369.73; 1456.30]	J/mol×K	[1020.61; 1250.70]
Cp,gas	1369.73	J/mol×K	1020.61	Joback Calculated Property
Cp,gas	1387.78	J/mol×K	1058.96	Joback Calculated Property
Cp,gas	1404.26	J/mol×K	1097.31	Joback Calculated Property
Cp,gas	1419.26	J/mol×K	1135.65	Joback Calculated Property
Cp,gas	1432.88	J/mol×K	1174.00	Joback Calculated Property
Cp,gas	1445.19	J/mol×K	1212.35	Joback Calculated Property
Cp,gas	1456.30	J/mol×K	1250.70	Joback Calculated Property
η	[0.0000114; 0.0002256]	Pa×s	[576.00; 1020.61]
η	0.0002256	Pa×s	576.00	Joback Calculated Property
η	0.0001033	Pa×s	650.10	Joback Calculated Property
η	0.0000556	Pa×s	724.20	Joback Calculated Property
η	0.0000335	Pa×s	798.31	Joback Calculated Property
η	0.0000220	Pa×s	872.41	Joback Calculated Property
η	0.0000155	Pa×s	946.51	Joback Calculated Property
η	0.0000114	Pa×s	1020.61	Joback Calculated Property

Similar Compounds

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

Sources

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

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