Chemical Properties of 1,2-Benzenedicarboxylic acid, dinonyl ester (CAS 84-76-4)

InChI

InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3

InChI Key

DROMNWUQASBTFM-UHFFFAOYSA-N

Formula

C26H42O4

SMILES

CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC

Molecular Weight¹

418.61

CAS

84-76-4

Other Names

• Bisoflex 91
• Bisoflex DNP
• Ceneg
• Di-n-nonyl phthalate
• Nonyl phthalate
• Unimoll DN
• dinonyl 1,2-benzenedicarboxylate
• dinonyl phthalate
• phthalic acid, dinonyl ester

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	1.2266		Relay (1.0) Calculated Property
ΔfG°	-197.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-945.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.32	kJ/mol	Joback Calculated Property
ΔvapH°	116.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-7.57		Relay (1.0) Calculated Property
logPoct/wat	7.501		Crippen Calculated Property
McVol	368.320	ml/mol	McGowan Calculated Property
Pc	1020.00	kPa	Critical Temperatures and Pressures of 12 Phthalates Using the Pulse-Heating Method
Inp	[2876.00; 2876.00]
Inp	2876.00		NIST
Inp	2876.00		NIST
Tboil	673.42	K	Relay (1.0) Calculated Property
Tc	874.18	K	Relay (1.0) Calculated Property
Tfus	284.76	K	Relay (1.0) Calculated Property
Vc	1.402	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1243.68; 1327.00]	J/mol×K	[978.52; 1198.52]
Cp,gas	1243.68	J/mol×K	978.52	Joback Calculated Property
Cp,gas	1261.26	J/mol×K	1015.19	Joback Calculated Property
Cp,gas	1277.29	J/mol×K	1051.85	Joback Calculated Property
Cp,gas	1291.83	J/mol×K	1088.52	Joback Calculated Property
Cp,gas	1304.93	J/mol×K	1125.19	Joback Calculated Property
Cp,gas	1316.64	J/mol×K	1161.85	Joback Calculated Property
Cp,gas	1327.00	J/mol×K	1198.52	Joback Calculated Property
η	[0.0000228; 0.0003036]	Pa×s	[566.04; 978.52]
η	0.0003036	Pa×s	566.04	Joback Calculated Property
η	0.0001561	Pa×s	634.79	Joback Calculated Property
η	0.0000914	Pa×s	703.53	Joback Calculated Property
η	0.0000589	Pa×s	772.28	Joback Calculated Property
η	0.0000407	Pa×s	841.03	Joback Calculated Property
η	0.0000298	Pa×s	909.77	Joback Calculated Property
η	0.0000228	Pa×s	978.52	Joback Calculated Property
ΔvapH	108.90	kJ/mol	363.00	NIST

Similar Compounds

Find more compounds similar to 1,2-Benzenedicarboxylic acid, dinonyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Critical Temperatures and Pressures of 12 Phthalates Using the Pulse-Heating Method
• Joback Method
• McGowan Method
• NIST Webbook

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