Chemical Properties of 2,6-Naphthalenedicarboxylic acid, dimethyl ester (CAS 840-65-3)

InChI

InChI=1S/C14H12O4/c1-17-13(15)11-5-3-10-8-12(14(16)18-2)6-4-9(10)7-11/h3-8H,1-2H3

InChI Key

GYUVMLBYMPKZAZ-UHFFFAOYSA-N

Formula

C14H12O4

SMILES

COC(=O)c1ccc2cc(C(=O)OC)ccc2c1

Molecular Weight¹

244.24

CAS

840-65-3

Other Names

• Dimethyl 2,6-naphthalenedicarboxylate
• Dimethyl naphthalene-2,6-dicarboxylate
• 2,6-Dicarbomethoxynaphthalene
• Naphthalene-2,6-dicarboxylic acid, dimethyl ester
• Dimethyl ester of 2,6-naphthalenedicarboxylic acid

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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.
• 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
ΔcH°solid	-6527.60 ± 1.20	kJ/mol	NIST
ΔfG°	-201.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-555.10 ± 6.10	kJ/mol	NIST
ΔfH°solid	-696.50 ± 1.30	kJ/mol	NIST
ΔfusH°	27.87	kJ/mol	Joback Calculated Property
ΔsubH°	141.40	kJ/mol	NIST
ΔvapH°	70.31	kJ/mol	Joback Calculated Property
log10WS	-3.76		Crippen Calculated Property
logPoct/wat	2.413		Crippen Calculated Property
McVol	179.780	ml/mol	McGowan Calculated Property
Pc	2701.41	kPa	Joback Calculated Property
Inp	2118.00		NIST
Tboil	727.92	K	Joback Calculated Property
Tc	957.77	K	Joback Calculated Property
Tfus	[464.40; 464.50]	K
Tfus	464.50 ± 0.70	K	NIST
Tfus	464.40 ± 0.10	K	NIST
Vc	0.681	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[471.72; 533.23]	J/mol×K	[727.92; 957.77]
Cp,gas	471.72	J/mol×K	727.92	Joback Calculated Property
Cp,gas	484.21	J/mol×K	766.23	Joback Calculated Property
Cp,gas	495.76	J/mol×K	804.54	Joback Calculated Property
Cp,gas	506.41	J/mol×K	842.84	Joback Calculated Property
Cp,gas	516.19	J/mol×K	881.15	Joback Calculated Property
Cp,gas	525.12	J/mol×K	919.46	Joback Calculated Property
Cp,gas	533.23	J/mol×K	957.77	Joback Calculated Property
Cp,solid	283.80	J/mol×K	298.15	NIST
η	[0.0002177; 0.0009310]	Pa×s	[476.02; 727.92]
η	0.0009310	Pa×s	476.02	Joback Calculated Property
η	0.0006624	Pa×s	518.00	Joback Calculated Property
η	0.0004960	Pa×s	559.99	Joback Calculated Property
η	0.0003867	Pa×s	601.97	Joback Calculated Property
η	0.0003115	Pa×s	643.95	Joback Calculated Property
η	0.0002576	Pa×s	685.94	Joback Calculated Property
η	0.0002177	Pa×s	727.92	Joback Calculated Property
ΔfusH	53.30	kJ/mol	464.50	NIST

Similar Compounds

Find more compounds similar to 2,6-Naphthalenedicarboxylic acid, dimethyl ester.

Sources

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

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