Chemical Properties of 1,2-Benzenedicarboxylic acid, butyl octyl ester (CAS 84-78-6)

InChI

InChI=1S/C20H30O4/c1-3-5-7-8-9-12-16-24-20(22)18-14-11-10-13-17(18)19(21)23-15-6-4-2/h10-11,13-14H,3-9,12,15-16H2,1-2H3

InChI Key

MURWRBWZIMXKGC-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC

Molecular Weight¹

334.45

CAS

84-78-6

Other Names

• Phthalic acid, butyl octyl ester
• Butyl octyl phthalate
• Octyl butyl phthalate
• Plasticizer BOP
• Plasticizer OBP
• PX 914
• Staflex BOP
• Truflex OBP
• 1,2-Benzenedicarboxylic acid, 1-butyl 2-octyl ester
• BOP
• NSC 69894

• 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	1.0101		Relay (1.0) Calculated Property
ΔfG°	-247.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-818.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.78	kJ/mol	Joback Calculated Property
ΔvapH°	96.52	kJ/mol	Relay (1.0) Calculated Property
IE	9.13	eV	Relay (1.0) Calculated Property
log10WS	-5.91		Relay (1.0) Calculated Property
logPoct/wat	5.161		Crippen Calculated Property
McVol	283.780	ml/mol	McGowan Calculated Property
Pc	1341.76	kPa	Joback Calculated Property
Inp	[2317.00; 2317.00]
Inp	2317.00		NIST
Inp	2317.00		NIST
Inp	2317.00		NIST
Tboil	632.05	K	Relay (1.0) Calculated Property
Tc	834.46	K	Relay (1.0) Calculated Property
Tfus	249.31	K	Relay (1.0) Calculated Property
Vc	1.076	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[877.72; 958.03]	J/mol×K	[841.24; 1041.25]
Cp,gas	877.72	J/mol×K	841.24	Joback Calculated Property
Cp,gas	893.85	J/mol×K	874.57	Joback Calculated Property
Cp,gas	908.85	J/mol×K	907.91	Joback Calculated Property
Cp,gas	922.75	J/mol×K	941.24	Joback Calculated Property
Cp,gas	935.56	J/mol×K	974.58	Joback Calculated Property
Cp,gas	947.32	J/mol×K	1007.91	Joback Calculated Property
Cp,gas	958.03	J/mol×K	1041.25	Joback Calculated Property
η	[0.0000548; 0.0005930]	Pa×s	[498.42; 841.24]
η	0.0005930	Pa×s	498.42	Joback Calculated Property
η	0.0003251	Pa×s	555.56	Joback Calculated Property
η	0.0001994	Pa×s	612.69	Joback Calculated Property
η	0.0001329	Pa×s	669.83	Joback Calculated Property
η	0.0000945	Pa×s	726.97	Joback Calculated Property
η	0.0000705	Pa×s	784.10	Joback Calculated Property
η	0.0000548	Pa×s	841.24	Joback Calculated Property

Similar Compounds

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

Sources

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

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