Chemical Properties of Hexane, 1,1-diethoxy- (CAS 3658-93-3)

InChI

InChI=1S/C10H22O2/c1-4-7-8-9-10(11-5-2)12-6-3/h10H,4-9H2,1-3H3

InChI Key

WNHOMUCDFNTSEV-UHFFFAOYSA-N

Formula

C10H22O2

SMILES

CCCCCC(OCC)OCC

Molecular Weight¹

174.28

CAS

3658-93-3

Other Names

• Hexanal, diethyl acetal
• 1,1-Diethoxyhexane
• n-Hexanal diethyl acetal

• 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).
• 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°	-179.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-519.45	kJ/mol	Joback Calculated Property
ΔfusH°	20.51	kJ/mol	Joback Calculated Property
ΔvapH°	42.29	kJ/mol	Joback Calculated Property
log10WS	-2.79		Crippen Calculated Property
logPoct/wat	2.966		Crippen Calculated Property
McVol	163.500	ml/mol	McGowan Calculated Property
Pc	2058.62	kPa	Joback Calculated Property
Inp	[1080.00; 1092.00]
Inp	1087.90		NIST
Inp	1092.00		NIST
Inp	1092.00		NIST
Inp	1085.00		NIST
Inp	1092.00		NIST
Inp	1080.00		NIST
Inp	1082.00		NIST
I	[1223.00; 1250.00]
I	1235.00		NIST
I	1230.00		NIST
I	1242.00		NIST
I	1238.00		NIST
I	1230.00		NIST
I	1227.00		NIST
I	1229.00		NIST
I	1227.00		NIST
I	1229.00		NIST
I	1235.00		NIST
I	Outlier 1250.00		NIST
I	1232.00		NIST
I	1223.00		NIST
I	1228.00		NIST
I	1235.00		NIST
I	1242.00		NIST
I	1227.00		NIST
Tboil	472.60	K	Joback Calculated Property
Tc	638.49	K	Joback Calculated Property
Tfus	231.92	K	Joback Calculated Property
Vc	0.625	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[369.40; 451.74]	J/mol×K	[472.60; 638.49]
Cp,gas	369.40	J/mol×K	472.60	Joback Calculated Property
Cp,gas	384.29	J/mol×K	500.25	Joback Calculated Property
Cp,gas	398.71	J/mol×K	527.90	Joback Calculated Property
Cp,gas	412.67	J/mol×K	555.54	Joback Calculated Property
Cp,gas	426.16	J/mol×K	583.19	Joback Calculated Property
Cp,gas	439.18	J/mol×K	610.84	Joback Calculated Property
Cp,gas	451.74	J/mol×K	638.49	Joback Calculated Property
η	[0.0001614; 0.0046878]	Pa×s	[231.92; 472.60]
η	0.0046878	Pa×s	231.92	Joback Calculated Property
η	0.0017676	Pa×s	272.03	Joback Calculated Property
η	0.0008564	Pa×s	312.15	Joback Calculated Property
η	0.0004893	Pa×s	352.26	Joback Calculated Property
η	0.0003135	Pa×s	392.37	Joback Calculated Property
η	0.0002182	Pa×s	432.49	Joback Calculated Property
η	0.0001614	Pa×s	472.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 1,1-diethoxy-.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.