Chemical Properties of 2,3-Butanediol, diacetate (CAS 1114-92-7)

InChI

InChI=1S/C8H14O4/c1-5(11-7(3)9)6(2)12-8(4)10/h5-6H,1-4H3

InChI Key

VVSAAKSQXNXBML-UHFFFAOYSA-N

Formula

C8H14O4

SMILES

CC(=O)OC(C)C(C)OC(C)=O

Molecular Weight¹

174.19

CAS

1114-92-7

Other Names

• 2,3-Butanediyl diacetate
• Butane-2,3-diol, diacetate
• 2,3-Diacetoxybutane
• butane-2,3-diyl diacetate

• 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°_liquid : Liquid 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).
• 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_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
ΔfG°	-456.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-708.61	kJ/mol	Joback Calculated Property
ΔfH°liquid	-916.30 ± 3.30	kJ/mol	NIST
ΔfusH°	15.00	kJ/mol	Joback Calculated Property
ΔvapH°	50.94	kJ/mol	Joback Calculated Property
log10WS	-1.12		Crippen Calculated Property
logPoct/wat	0.890		Crippen Calculated Property
McVol	138.460	ml/mol	McGowan Calculated Property
Pc	2835.36	kPa	Joback Calculated Property
Inp	[1064.00; 1080.00]
Inp	1080.00		NIST
Inp	1065.40		NIST
Inp	1064.00		NIST
Inp	1080.00		NIST
Inp	1065.40		NIST
I	[1483.00; 1532.00]
I	1525.00		NIST
I	1495.00		NIST
I	1532.00		NIST
I	1487.00		NIST
I	1483.00		NIST
I	1521.00		NIST
I	1484.00		NIST
I	1501.00		NIST
I	1484.00		NIST
Tboil	534.14	K	Joback Calculated Property
Tc	725.42	K	Joback Calculated Property
Tfus	294.24	K	Joback Calculated Property
Vc	0.519	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[322.86; 387.93]	J/mol×K	[534.14; 725.42]
Cp,gas	322.86	J/mol×K	534.14	Joback Calculated Property
Cp,gas	334.93	J/mol×K	566.02	Joback Calculated Property
Cp,gas	346.52	J/mol×K	597.90	Joback Calculated Property
Cp,gas	357.62	J/mol×K	629.78	Joback Calculated Property
Cp,gas	368.23	J/mol×K	661.66	Joback Calculated Property
Cp,gas	378.34	J/mol×K	693.54	Joback Calculated Property
Cp,gas	387.93	J/mol×K	725.42	Joback Calculated Property
η	[0.0002027; 0.0035516]	Pa×s	[294.24; 534.14]
η	0.0035516	Pa×s	294.24	Joback Calculated Property
η	0.0016565	Pa×s	334.22	Joback Calculated Property
η	0.0009094	Pa×s	374.21	Joback Calculated Property
η	0.0005605	Pa×s	414.19	Joback Calculated Property
η	0.0003762	Pa×s	454.17	Joback Calculated Property
η	0.0002693	Pa×s	494.16	Joback Calculated Property
η	0.0002027	Pa×s	534.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Butanediol, diacetate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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