Chemical Properties of 4,4'-isopropylidenediphenyl dicyanate (CAS 1156-51-0)

InChI

InChI=1S/C17H14N2O2/c1-17(2,13-3-7-15(8-4-13)20-11-18)14-5-9-16(10-6-14)21-12-19/h3-10H,1-2H3

InChI Key

AHZMUXQJTGRNHT-UHFFFAOYSA-N

Formula

C17H14N2O2

SMILES

CC(C)(c1ccc(OC#N)cc1)c1ccc(OC#N)cc1

Molecular Weight¹

278.31

CAS

1156-51-0

Other Names

• 2,2-Bis-(4-cyanatophenyl)propane

• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	357.02	kJ/mol	Joback Calculated Property
ΔfH°gas	112.48	kJ/mol	Joback Calculated Property
ΔfusH°	25.06	kJ/mol	Joback Calculated Property
ΔvapH°	83.79	kJ/mol	Joback Calculated Property
log10WS	-5.05		Crippen Calculated Property
logPoct/wat	3.732		Crippen Calculated Property
McVol	217.370	ml/mol	McGowan Calculated Property
Pc	1918.62	kPa	Joback Calculated Property
S°solid,1 bar	391.20	J/mol×K	NIST
Tboil	897.45	K	Joback Calculated Property
Tc	1150.66	K	Joback Calculated Property
Tfus	536.09	K	Joback Calculated Property
Ttriple	[355.80; 355.83]	K
Ttriple	355.80 ± 0.10	K	NIST
Ttriple	355.83 ± 0.02	K	NIST
Vc	0.849	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[620.66; 669.10]	J/mol×K	[897.45; 1150.66]
Cp,gas	620.66	J/mol×K	897.45	Joback Calculated Property
Cp,gas	631.34	J/mol×K	939.65	Joback Calculated Property
Cp,gas	640.89	J/mol×K	981.85	Joback Calculated Property
Cp,gas	649.38	J/mol×K	1024.06	Joback Calculated Property
Cp,gas	656.87	J/mol×K	1066.26	Joback Calculated Property
Cp,gas	663.42	J/mol×K	1108.46	Joback Calculated Property
Cp,gas	669.10	J/mol×K	1150.66	Joback Calculated Property
Cp,solid	[355.64; 360.00]	J/mol×K	[298.15; 300.00]
Cp,solid	355.64	J/mol×K	298.15	NIST
Cp,solid	360.00	J/mol×K	300.00	NIST
ΔfusH	[26.69; 26.70]	kJ/mol	[355.80; 355.83]
ΔfusH	26.70	kJ/mol	355.80	NIST
ΔfusH	26.69	kJ/mol	355.83	NIST
ΔfusS	[74.89; 74.90]	J/mol×K	[355.80; 355.83]
ΔfusS	74.90	J/mol×K	355.80	NIST
ΔfusS	74.89	J/mol×K	355.83	NIST

Similar Compounds

Find more compounds similar to 4,4'-isopropylidenediphenyl dicyanate.

Sources

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

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