Chemical Properties of cis-3-Hexenal diethyl acetal (CAS 73545-18-3)

InChI

InChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h7-8,10H,4-6,9H2,1-3H3/b8-7-

InChI Key

IOBHVJHSBREPFR-FPLPWBNLSA-N

Formula

C10H20O2

SMILES

CCC=CCC(OCC)OCC

Molecular Weight¹

172.26

CAS

73545-18-3

Other Names

• 3-Hexene, 1,1-diethoxy-, (Z)-
• cis-1,1-Diethoxy-3-hexene
• (3Z)-1,1-Diethoxy-3-hexene
• (Z)-3-Hexenal diethyl acetal
• 3-Hexene, 1,1-diethoxy-, (3Z)-
• (Z)-1,1-diethoxyhex-3-ene

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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
ω	0.4184		Relay (1.0) Calculated Property
ΔfG°	-98.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-469.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.71	kJ/mol	Joback Calculated Property
ΔvapH°	55.55	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
logPoct/wat	2.742		Crippen Calculated Property
McVol	159.200	ml/mol	McGowan Calculated Property
Pc	2159.31	kPa	Joback Calculated Property
I	[1269.00; 1272.00]
I	1269.00		NIST
I	1272.00		NIST
I	1269.00		NIST
I	1272.00		NIST
Tboil	442.41	K	Relay (1.0) Calculated Property
Tc	608.38	K	Relay (1.0) Calculated Property
Tfus	173.34	K	Relay (1.0) Calculated Property
Vc	0.580	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[353.22; 433.40]	J/mol×K	[476.96; 650.34]
Cp,gas	353.22	J/mol×K	476.96	Joback Calculated Property
Cp,gas	367.88	J/mol×K	505.86	Joback Calculated Property
Cp,gas	382.02	J/mol×K	534.75	Joback Calculated Property
Cp,gas	395.63	J/mol×K	563.65	Joback Calculated Property
Cp,gas	408.72	J/mol×K	592.55	Joback Calculated Property
Cp,gas	421.31	J/mol×K	621.44	Joback Calculated Property
Cp,gas	433.40	J/mol×K	650.34	Joback Calculated Property
η	[0.0001352; 0.0044403]	Pa×s	[226.84; 476.96]
η	0.0044403	Pa×s	226.84	Joback Calculated Property
η	0.0015795	Pa×s	268.53	Joback Calculated Property
η	0.0007418	Pa×s	310.21	Joback Calculated Property
η	0.0004167	Pa×s	351.90	Joback Calculated Property
η	0.0002645	Pa×s	393.59	Joback Calculated Property
η	0.0001831	Pa×s	435.27	Joback Calculated Property
η	0.0001352	Pa×s	476.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-3-Hexenal diethyl acetal.

Sources

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

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