Chemical Properties of Tributyl acetylcitrate (CAS 77-90-7)

InChI

InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3

InChI Key

QZCLKYGREBVARF-UHFFFAOYSA-N

Formula

C20H34O8

SMILES

CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC

Molecular Weight¹

402.48

CAS

77-90-7

Other Names

• 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester
• Citric acid, tributyl ester, acetate
• Blo-trol
• Citroflex A
• Citroflex A 4
• Tributyl acetylicitrate
• Tributyl citrate acetate
• Tributyl O-acetylcitrate
• Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylic acid
• Tributyl 2-acetoxy-1,2,3-propanetricarboxylate
• 2-Acetoxy-1,2,3-propanetricarboxylic acid tributyl ester
• Acetyl tributyl citrate
• 2-(Acetyloxy)-1,2,3-propane tricarboxylic acid, tributyl ester
• Acetyl butyl citrate
• Acetyl tri-n-butyl citrate
• Acetylcitric acid, tributyl ester
• Estaflex ATC
• O-Acetylcitric acid tributyl ester
• Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylate
• Uniplex 84
• 1,2,3-Propanetricarboxylic acid, 2-acetoxy-, tributyl ester
• 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tributyl ester
• NSC 3894

• 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_fH°_solid : Solid phase 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_boilr : Boiling point at reduced pressure (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	1.0616		Relay (1.0) Calculated Property
ΔfG°	-815.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-1696.67	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-1848.00	kJ/mol	NIST
ΔfusH°	51.29	kJ/mol	Joback Calculated Property
ΔvapH°	95.24	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-3.71		Relay (1.0) Calculated Property
logPoct/wat	3.098		Crippen Calculated Property
McVol	322.420	ml/mol	McGowan Calculated Property
Pc	1160.87	kPa	Joback Calculated Property
Inp	[2224.00; 2254.00]
Inp	2253.00		NIST
Inp	2224.00		NIST
Inp	2250.00		NIST
Inp	2254.00		NIST
Inp	2253.00		NIST
Inp	2253.00		NIST
Inp	2224.00		NIST
Inp	2253.00		NIST
Tboil	618.36	K	Relay (1.0) Calculated Property
Tc	791.06	K	Relay (1.0) Calculated Property
Tfus	272.79	K	Relay (1.0) Calculated Property
Vc	1.200	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1066.89; 1127.88]	J/mol×K	[958.93; 1174.08]
Cp,gas	1066.89	J/mol×K	958.93	Joback Calculated Property
Cp,gas	1080.80	J/mol×K	994.79	Joback Calculated Property
Cp,gas	1093.19	J/mol×K	1030.65	Joback Calculated Property
Cp,gas	1104.08	J/mol×K	1066.51	Joback Calculated Property
Cp,gas	1113.49	J/mol×K	1102.37	Joback Calculated Property
Cp,gas	1121.42	J/mol×K	1138.23	Joback Calculated Property
Cp,gas	1127.88	J/mol×K	1174.08	Joback Calculated Property
η	[0.0000198; 0.0002116]	Pa×s	[606.22; 958.93]
η	0.0002116	Pa×s	606.22	Joback Calculated Property
η	0.0001197	Pa×s	665.00	Joback Calculated Property
η	0.0000743	Pa×s	723.79	Joback Calculated Property
η	0.0000495	Pa×s	782.58	Joback Calculated Property
η	0.0000349	Pa×s	841.36	Joback Calculated Property
η	0.0000258	Pa×s	900.14	Joback Calculated Property
η	0.0000198	Pa×s	958.93	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Tributyl acetylcitrate.

Sources

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

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