Chemical Properties of Tricyclo[2.2.1.0(2,6)]heptane, 1,3,3-trimethyl- (CAS 488-97-1)

InChI

InChI=1S/C10H16/c1-9(2)6-4-7-8(9)10(7,3)5-6/h6-8H,4-5H2,1-3H3

InChI Key

NZXWDTCLMXDSHY-UHFFFAOYSA-N

Formula

C10H16

SMILES

CC1(C)C2CC3C1C3(C)C2

Molecular Weight¹

136.23

CAS

488-97-1

Other Names

• Cyclofenchene
• Tricyclo[2.2.1.02,6]heptane, 1,3,3-trimethyl-
• 1,3,3-trimethyltricyclo[2.2.1.02,6]heptane

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas 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_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.
• I : 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°liquid	-6155.10	kJ/mol	NIST
ΔfG°	213.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-29.21	kJ/mol	Joback Calculated Property
ΔfusH°	9.81	kJ/mol	Joback Calculated Property
ΔvapH°	34.33	kJ/mol	Joback Calculated Property
log10WS	-2.48		Crippen Calculated Property
logPoct/wat	2.688		Crippen Calculated Property
McVol	119.180	ml/mol	McGowan Calculated Property
Pc	3038.96	kPa	Joback Calculated Property
Inp	[882.10; 927.00]
Inp	888.00		NIST
Inp	896.00		NIST
Inp	882.10		NIST
Inp	927.00		NIST
Inp	886.00		NIST
Inp	890.00		NIST
Inp	886.00		NIST
Inp	927.00		NIST
I	946.00		NIST
Tboil	431.02	K	Joback Calculated Property
Tc	637.57	K	Joback Calculated Property
Tfus	302.64	K	Joback Calculated Property
Vc	0.476	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[275.10; 367.47]	J/mol×K	[431.02; 637.57]
Cp,gas	275.10	J/mol×K	431.02	Joback Calculated Property
Cp,gas	294.56	J/mol×K	465.45	Joback Calculated Property
Cp,gas	312.07	J/mol×K	499.87	Joback Calculated Property
Cp,gas	327.87	J/mol×K	534.30	Joback Calculated Property
Cp,gas	342.20	J/mol×K	568.72	Joback Calculated Property
Cp,gas	355.32	J/mol×K	603.15	Joback Calculated Property
Cp,gas	367.47	J/mol×K	637.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[2.2.1.0(2,6)]heptane, 1,3,3-trimethyl-.

Sources

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

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