Chemical Properties of Propane, 1,3-dimethoxy- (CAS 17081-21-9)

InChI

InChI=1S/C5H12O2/c1-6-4-3-5-7-2/h3-5H2,1-2H3

InChI Key

UUAMLBIYJDPGFU-UHFFFAOYSA-N

Formula

C5H12O2

SMILES

COCCCOC

Molecular Weight¹

104.15

CAS

17081-21-9

Other Names

• Trimethylene glycol dimethyl ether
• 1,3-Dimethoxypropane
• CH3O(CH2)3OCH3

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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.
• 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
PAff	897.20	kJ/mol	NIST
BasG	858.60	kJ/mol	NIST
ΔfG°	-218.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-410.97	kJ/mol	Joback Calculated Property
ΔfusH°	11.08	kJ/mol	Joback Calculated Property
ΔvapH°	31.54	kJ/mol	Joback Calculated Property
IE	[9.30; 9.68]	eV
IE	9.30	eV	NIST
IE	9.68	eV	NIST
log10WS	-0.09		Crippen Calculated Property
logPoct/wat	0.669		Crippen Calculated Property
McVol	93.050	ml/mol	McGowan Calculated Property
Pc	3333.53	kPa	Joback Calculated Property
Inp	[697.30; 700.00]
Inp	697.30		NIST
Inp	700.00		NIST
Tboil	358.64	K	Joback Calculated Property
Tc	524.09	K	Joback Calculated Property
Tfus	190.57	K	Joback Calculated Property
Vc	0.351	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.54; 218.03]	J/mol×K	[358.64; 524.09]
Cp,gas	169.54	J/mol×K	358.64	Joback Calculated Property
Cp,gas	178.02	J/mol×K	386.21	Joback Calculated Property
Cp,gas	186.35	J/mol×K	413.79	Joback Calculated Property
Cp,gas	194.52	J/mol×K	441.36	Joback Calculated Property
Cp,gas	202.53	J/mol×K	468.94	Joback Calculated Property
Cp,gas	210.37	J/mol×K	496.51	Joback Calculated Property
Cp,gas	218.03	J/mol×K	524.09	Joback Calculated Property
η	[0.0002027; 0.0025228]	Pa×s	[190.57; 358.64]
η	0.0025228	Pa×s	190.57	Joback Calculated Property
η	0.0012659	Pa×s	218.58	Joback Calculated Property
η	0.0007430	Pa×s	246.59	Joback Calculated Property
η	0.0004861	Pa×s	274.61	Joback Calculated Property
η	0.0003441	Pa×s	302.62	Joback Calculated Property
η	0.0002582	Pa×s	330.63	Joback Calculated Property
η	0.0002027	Pa×s	358.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1,3-dimethoxy-.

Sources

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

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