Chemical Properties of Cubane-1,4-dicarboylic acid dimethyl ester (CAS 29412-62-2)

InChI

InChI=1S/C12H12O4/c1-15-9(13)11-3-6-4(11)8-5(11)7(3)12(6,8)10(14)16-2/h3-8H,1-2H3

InChI Key

OXBMFCGRQJNAOY-UHFFFAOYSA-N

Formula

C12H12O4

SMILES

COC(=O)C12C3C4C1C1C2C3C41C(=O)OC

Molecular Weight¹

220.22

CAS

29412-62-2

• 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).
• 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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	-6218.10 ± 1.40	kJ/mol	NIST
ΔfG°	-63.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-404.03	kJ/mol	Joback Calculated Property
ΔfH°solid	-219.00 ± 2.10	kJ/mol	NIST
ΔfusH°	28.40	kJ/mol	Joback Calculated Property
ΔsubH°	[117.20; 118.90]	kJ/mol
ΔsubH°	117.20 ± 3.90	kJ/mol	NIST
ΔsubH°	118.90 ± 3.80	kJ/mol	NIST
ΔvapH°	88.50 ± 2.20	kJ/mol	NIST
log10WS	-0.11		Crippen Calculated Property
logPoct/wat	0.070		Crippen Calculated Property
McVol	140.520	ml/mol	McGowan Calculated Property
Pc	3045.68	kPa	Joback Calculated Property
Tboil	616.82	K	Joback Calculated Property
Tc	825.08	K	Joback Calculated Property
Tfus	437.80 ± 0.50	K	NIST
Vc	0.590	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[432.55; 499.14]	J/mol×K	[616.82; 825.08]
Cp,gas	432.55	J/mol×K	616.82	Joback Calculated Property
Cp,gas	444.48	J/mol×K	651.53	Joback Calculated Property
Cp,gas	455.67	J/mol×K	686.24	Joback Calculated Property
Cp,gas	466.42	J/mol×K	720.95	Joback Calculated Property
Cp,gas	477.05	J/mol×K	755.66	Joback Calculated Property
Cp,gas	487.85	J/mol×K	790.37	Joback Calculated Property
Cp,gas	499.14	J/mol×K	825.08	Joback Calculated Property
Cp,solid	251.10	J/mol×K	298.15	NIST
ΔfusH	[38.10; 41.00]	kJ/mol	[437.80; 438.20]
ΔfusH	41.00	kJ/mol	437.80	NIST
ΔfusH	41.00	kJ/mol	437.80	NIST
ΔfusH	38.10	kJ/mol	438.20	NIST
ΔfusS	93.70	J/mol×K	437.80	NIST

Similar Compounds

Find more compounds similar to Cubane-1,4-dicarboylic acid dimethyl ester.

Sources

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

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