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_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
ΔfH°gas	-1031.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.11	kJ/mol	Joback Calculated Property
ΔvapH°	92.09	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	1160.08	kPa	Joback Calculated Property
Inp	[2113.00; 2140.00]
Inp	2140.00		NIST
Inp	2113.00		NIST
Inp	2113.00		NIST
Inp	2140.00		NIST
Tboil	597.60	K	Relay (1.0) Calculated Property
Tc	764.29	K	Relay (1.0) Calculated Property
Tfus	266.56	K	Relay (1.0) Calculated Property
Vc	1.089	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[420.00; 964.18]	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			3.73440e+01
Coefficient B			1.60424e+00
Coefficient C			-7.66200e-04
Coefficient D			8.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	420.00	J/mol×K	273.00	Calculated Property
Cp,gas	512.92	J/mol×K	353.78	Calculated Property
Cp,gas	597.07	J/mol×K	434.56	Calculated Property
Cp,gas	672.74	J/mol×K	515.33	Calculated Property
Cp,gas	740.19	J/mol×K	596.11	Calculated Property
Cp,gas	799.72	J/mol×K	676.89	Calculated Property
Cp,gas	851.60	J/mol×K	757.67	Calculated Property
Cp,gas	896.12	J/mol×K	838.44	Calculated Property
Cp,gas	933.55	J/mol×K	919.22	Calculated Property
Cp,gas	964.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019774; 0.0001020]	Pa×s	[377.28; 630.54]	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			-1.36071e+01
Coefficient B			2.78476e+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.			377.28
Temperature range, max.			630.54
η	0.0019774	Pa×s	377.28	Calculated Property
η	0.0011847	Pa×s	405.42	Calculated Property
η	0.0007585	Pa×s	433.56	Calculated Property
η	0.0005128	Pa×s	461.70	Calculated Property
η	0.0003626	Pa×s	489.84	Calculated Property
η	0.0002663	Pa×s	517.98	Calculated Property
η	0.0002019	Pa×s	546.12	Calculated Property
η	0.0001572	Pa×s	574.26	Calculated Property
η	0.0001254	Pa×s	602.40	Calculated Property
η	0.0001020	Pa×s	630.54	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[480.17; 688.50]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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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