Chemical Properties of 2-Norbornanethione, 1,3,3-trimethyl- (CAS 875-06-9)

InChI

InChI=1S/C10H16S/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3

InChI Key

LZCJFUYIXHJWPV-UHFFFAOYSA-N

Formula

C10H16S

SMILES

CC12CCC(C1)C(C)(C)C2=S

Molecular Weight¹

168.30

CAS

875-06-9

Other Names

• Bicyclo[2.2.1]heptane-2-thione, 1,3,3-trimethyl-
• Thiofenchone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	10.33	kJ/mol	Joback Calculated Property
ΔvapH°	56.62	kJ/mol	Relay (1.0) Calculated Property
IE	[8.13; 8.41]	eV
IE	8.13	eV	NIST
IE	8.41	eV	NIST
log10WS	-4.78		Relay (1.0) Calculated Property
logPoct/wat	3.203		Crippen Calculated Property
McVol	142.090	ml/mol	McGowan Calculated Property
Tboil	477.00	K	Relay (1.0) Calculated Property
Tfus	331.87	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[174.55; 509.58]	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			-1.88470e+02
Coefficient B			1.81335e+00
Coefficient C			-2.01780e-03
Coefficient D			9.02500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.55	J/mol×K	273.00	Calculated Property
Cp,gas	240.47	J/mol×K	353.78	Calculated Property
Cp,gas	292.55	J/mol×K	434.56	Calculated Property
Cp,gas	333.66	J/mol×K	515.33	Calculated Property
Cp,gas	366.64	J/mol×K	596.11	Calculated Property
Cp,gas	394.35	J/mol×K	676.89	Calculated Property
Cp,gas	419.65	J/mol×K	757.67	Calculated Property
Cp,gas	445.38	J/mol×K	838.44	Calculated Property
Cp,gas	474.41	J/mol×K	919.22	Calculated Property
Cp,gas	509.58	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Norbornanethione, 1,3,3-trimethyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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