Chemical Properties of 1,4-Butanediol, diacetate

InChI

InChI=1S/C8H14O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-6H2,1-2H3

InChI Key

XUKSWKGOQKREON-UHFFFAOYSA-N

Formula

C8H14O4

SMILES

CC(=O)OCCCCOC(C)=O

Molecular Weight¹

174.20

Other Names

• Butylene glycol diacetate
• Tetramethylene acetate
• Tetramethylene diacetate
• 1,4-Butylene glycol diacetate
• 1,4-Diacetoxybutane
• Butane-1,4-diol diacetate
• 1,4-Butanediol, 1,4-diacetate
• NSC 67924

• 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.
• I : 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	0.6220		Relay (1.0) Calculated Property
ΔfG°	-604.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-844.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.21	kJ/mol	Joback Calculated Property
ΔvapH°	67.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.60	eV	Relay (1.0) Calculated Property
log10WS	-1.12		Relay (1.0) Calculated Property
logPoct/wat	0.893		Crippen Calculated Property
McVol	138.460	ml/mol	McGowan Calculated Property
Pc	2561.10	kPa	Joback Calculated Property
Inp	[1181.00; 1181.00]
Inp	1181.00		NIST
Inp	1181.00		NIST
I	[1763.00; 1768.00]
I	1768.00		NIST
I	1763.00		NIST
I	1768.00		NIST
I	1763.00		NIST
Tboil	503.00 ± 5.00	K	NIST
Tc	658.65	K	Relay (1.0) Calculated Property
Tfus	259.22	K	Relay (1.0) Calculated Property
Vc	0.543	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[313.85; 378.20]	J/mol×K	[499.08; 677.18]
Cp,gas	313.85	J/mol×K	499.08	Joback Calculated Property
Cp,gas	325.78	J/mol×K	528.76	Joback Calculated Property
Cp,gas	337.24	J/mol×K	558.45	Joback Calculated Property
Cp,gas	348.21	J/mol×K	588.13	Joback Calculated Property
Cp,gas	358.70	J/mol×K	617.81	Joback Calculated Property
Cp,gas	368.70	J/mol×K	647.49	Joback Calculated Property
Cp,gas	378.20	J/mol×K	677.18	Joback Calculated Property
η	[0.0002005; 0.0052925]	Pa×s	[264.58; 499.08]
η	0.0052925	Pa×s	264.58	Joback Calculated Property
η	0.0021591	Pa×s	303.66	Joback Calculated Property
η	0.0010806	Pa×s	342.75	Joback Calculated Property
η	0.0006232	Pa×s	381.83	Joback Calculated Property
η	0.0003981	Pa×s	420.91	Joback Calculated Property
η	0.0002744	Pa×s	460.00	Joback Calculated Property
η	0.0002005	Pa×s	499.08	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1,4-Butanediol, diacetate.

Sources

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

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