Chemical Properties of Hexanedioic acid, dihexyl ester (CAS 110-33-8)

InChI

InChI=1S/C18H34O4/c1-3-5-7-11-15-21-17(19)13-9-10-14-18(20)22-16-12-8-6-4-2/h3-16H2,1-2H3

InChI Key

HHECSPXBQJHZAF-UHFFFAOYSA-N

Formula

C18H34O4

SMILES

CCCCCCOC(=O)CCCCC(=O)OCCCCCC

Molecular Weight¹

314.46

CAS

110-33-8

Other Names

• Adimoll DH
• Adipic acid, dihexyl ester
• Di-n-hexyl adipate
• Dihexyl adipate
• Dihexyl hexanedioate

• 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.
• 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	0.9806		Relay (1.0) Calculated Property
ΔfG°	-367.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-1031.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.95	kJ/mol	Joback Calculated Property
ΔvapH°	91.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.52	eV	Relay (1.0) Calculated Property
log10WS	-4.58		Relay (1.0) Calculated Property
logPoct/wat	4.794		Crippen Calculated Property
McVol	279.360	ml/mol	McGowan Calculated Property
Pc	1227.70	kPa	Joback Calculated Property
Inp	[2113.00; 2140.00]
Inp	2140.00		NIST
Inp	2113.00		NIST
Inp	2140.00		NIST
Inp	2113.00		NIST
Tboil	597.60	K	Relay (1.0) Calculated Property
Tc	762.24	K	Relay (1.0) Calculated Property
Tfus	267.84	K	Relay (1.0) Calculated Property
Vc	1.088	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[849.49; 940.44]	J/mol×K	[763.82; 942.53]
Cp,gas	849.49	J/mol×K	763.82	Joback Calculated Property
Cp,gas	866.90	J/mol×K	793.61	Joback Calculated Property
Cp,gas	883.40	J/mol×K	823.39	Joback Calculated Property
Cp,gas	898.98	J/mol×K	853.18	Joback Calculated Property
Cp,gas	913.68	J/mol×K	882.96	Joback Calculated Property
Cp,gas	927.49	J/mol×K	912.75	Joback Calculated Property
Cp,gas	940.44	J/mol×K	942.53	Joback Calculated Property
η	[0.0000707; 0.0010365]	Pa×s	[436.94; 763.82]
η	0.0010365	Pa×s	436.94	Joback Calculated Property
η	0.0005169	Pa×s	491.42	Joback Calculated Property
η	0.0002962	Pa×s	545.90	Joback Calculated Property
η	0.0001878	Pa×s	600.38	Joback Calculated Property
η	0.0001284	Pa×s	654.86	Joback Calculated Property
η	0.0000931	Pa×s	709.34	Joback Calculated Property
η	0.0000707	Pa×s	763.82	Joback Calculated Property
ΔvapH	80.40	kJ/mol	532.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[480.17; 688.50]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45922e+01
Coefficient B			-5.50523e+03
Coefficient C			-9.53100e+01
Temperature range, min.			480.17
Temperature range, max.			688.50
Pvap	1.33	kPa	480.17	Calculated Property
Pvap	3.00	kPa	503.32	Calculated Property
Pvap	6.19	kPa	526.47	Calculated Property
Pvap	11.87	kPa	549.61	Calculated Property
Pvap	21.36	kPa	572.76	Calculated Property
Pvap	36.41	kPa	595.91	Calculated Property
Pvap	59.20	kPa	619.06	Calculated Property
Pvap	92.38	kPa	642.20	Calculated Property
Pvap	139.02	kPa	665.35	Calculated Property
Pvap	202.65	kPa	688.50	Calculated Property

Similar Compounds

Find more compounds similar to Hexanedioic acid, dihexyl ester.

Sources

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

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