Chemical Properties of Cyclohexane, 1,3-dimethyl-2-methylene-, trans- (CAS 20348-74-7)

InChI

InChI=1S/C9H16/c1-7-5-4-6-8(2)9(7)3/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1

InChI Key

UTQSTOKTRPNZHE-YUMQZZPRSA-N

Formula

C9H16

SMILES

C=C1C(C)CCCC1C

Molecular Weight¹

124.22

CAS

20348-74-7

Other Names

• trans-1,3-Dimethyl-2-methylenecyclohexane

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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
ω	0.2288		Relay (1.0) Calculated Property
ΔfG°	94.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-104.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.81	kJ/mol	Joback Calculated Property
ΔvapH°	41.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	122.510	ml/mol	McGowan Calculated Property
Pc	2796.51	kPa	Joback Calculated Property
Tboil	390.77 ± 0.15	K	NIST
Tc	607.19	K	Relay (1.0) Calculated Property
Tfus	[215.31; 215.37]	K
Tfus	215.31 ± 0.05	K	NIST
Tfus	215.37 ± 0.02	K	NIST
Vc	0.427	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.06; 443.47]	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			-4.26700e+01
Coefficient B			8.36940e-01
Coefficient C			-3.99000e-04
Coefficient D			4.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.06	J/mol×K	273.00	Calculated Property
Cp,gas	205.62	J/mol×K	353.78	Calculated Property
Cp,gas	249.64	J/mol×K	434.56	Calculated Property
Cp,gas	289.27	J/mol×K	515.33	Calculated Property
Cp,gas	324.67	J/mol×K	596.11	Calculated Property
Cp,gas	355.98	J/mol×K	676.89	Calculated Property
Cp,gas	383.37	J/mol×K	757.67	Calculated Property
Cp,gas	406.97	J/mol×K	838.44	Calculated Property
Cp,gas	426.96	J/mol×K	919.22	Calculated Property
Cp,gas	443.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019482; 0.0002474]	Pa×s	[215.34; 434.00]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.03369e+01
Coefficient B			8.82040e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			215.34
Temperature range, max.			434.00
η	0.0019482	Pa×s	215.34	Calculated Property
η	0.0012861	Pa×s	239.64	Calculated Property
η	0.0009165	Pa×s	263.93	Calculated Property
η	0.0006915	Pa×s	288.23	Calculated Property
η	0.0005451	Pa×s	312.52	Calculated Property
η	0.0004447	Pa×s	336.82	Calculated Property
η	0.0003728	Pa×s	361.12	Calculated Property
η	0.0003196	Pa×s	385.41	Calculated Property
η	0.0002791	Pa×s	409.71	Calculated Property
η	0.0002474	Pa×s	434.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,3-dimethyl-2-methylene-, trans-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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