Chemical Properties of Heptane, 1,1'-oxybis- (CAS 629-64-1)

InChI

InChI=1S/C14H30O/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-14H2,1-2H3

InChI Key

UJEGHEMJVNQWOJ-UHFFFAOYSA-N

Formula

C14H30O

SMILES

CCCCCCCOCCCCCCC

Molecular Weight¹

214.39

CAS

629-64-1

Other Names

• 1,1'-oxybisheptane
• 1-(Heptyloxy)heptane
• Bis(1-heptyl) ether
• Di-n-heptyl ether
• Diheptyl ether
• Ether, di-n-heptyl
• Ether, diheptyl
• Heptyl ether
• NSC 97274

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor 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

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[317.88; 760.10]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.56620e+01
Coefficient B			1.27064e+00
Coefficient C			-6.26800e-04
Coefficient D			1.00600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	317.88	J/mol×K	273.00	Calculated Property
Cp,gas	391.19	J/mol×K	353.78	Calculated Property
Cp,gas	457.72	J/mol×K	434.56	Calculated Property
Cp,gas	517.77	J/mol×K	515.33	Calculated Property
Cp,gas	571.68	J/mol×K	596.11	Calculated Property
Cp,gas	619.76	J/mol×K	676.89	Calculated Property
Cp,gas	662.32	J/mol×K	757.67	Calculated Property
Cp,gas	699.68	J/mol×K	838.44	Calculated Property
Cp,gas	732.17	J/mol×K	919.22	Calculated Property
Cp,gas	760.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038629; 0.0002067]	Pa×s	[269.77; 491.50]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.20462e+01
Coefficient B			1.75077e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			269.77
Temperature range, max.			491.50
η	0.0038629	Pa×s	269.77	Calculated Property
η	0.0022442	Pa×s	294.41	Calculated Property
η	0.0014178	Pa×s	319.04	Calculated Property
η	0.0009567	Pa×s	343.68	Calculated Property
η	0.0006805	Pa×s	368.32	Calculated Property
η	0.0005051	Pa×s	392.95	Calculated Property
η	0.0003883	Pa×s	417.59	Calculated Property
η	0.0003075	Pa×s	442.22	Calculated Property
η	0.0002495	Pa×s	466.86	Calculated Property
η	0.0002067	Pa×s	491.50	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[408.52; 555.57]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.61961e+01
Coefficient B			-5.06843e+03
Coefficient C			-8.99220e+01
Temperature range, min.			408.52
Temperature range, max.			555.57
Pvap	1.33	kPa	408.52	Calculated Property
Pvap	2.90	kPa	424.86	Calculated Property
Pvap	5.86	kPa	441.20	Calculated Property
Pvap	11.12	kPa	457.54	Calculated Property
Pvap	20.00	kPa	473.88	Calculated Property
Pvap	34.27	kPa	490.21	Calculated Property
Pvap	56.31	kPa	506.55	Calculated Property
Pvap	89.12	kPa	522.89	Calculated Property
Pvap	136.41	kPa	539.23	Calculated Property
Pvap	202.65	kPa	555.57	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 1,1'-oxybis-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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