Chemical Properties of 1,2,3,6,7,8-Hexahydro-as-indacene (CAS 1076-17-1)

InChI

InChI=1S/C12H14/c1-3-9-7-8-10-4-2-6-12(10)11(9)5-1/h7-8H,1-6H2

InChI Key

CGIPSWGAIQVCNY-UHFFFAOYSA-N

Formula

C12H14

SMILES

c1cc2c(c3c1CCC3)CCC2

Molecular Weight¹

158.24

CAS

1076-17-1

Other Names

• 1,2,3,6,7,8-Hexahydro-cis-indacene
• As-Indacene,1,2,3,6,7,8-hexahydro-

• 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).
• 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).
• 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	0.4478		Relay (1.0) Calculated Property
ΔfG°	270.60	kJ/mol	Joback Calculated Property
ΔfH°gas	14.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.84	kJ/mol	Joback Calculated Property
ΔvapH°	66.43	kJ/mol	Relay (1.0) Calculated Property
IE	[8.09; 8.66]	eV
IE	8.09	eV	NIST
IE	8.66 ± 0.02	eV	NIST
log10WS	-4.69		Relay (1.0) Calculated Property
logPoct/wat	2.664		Crippen Calculated Property
McVol	134.460	ml/mol	McGowan Calculated Property
Pc	3235.66	kPa	Joback Calculated Property
Tboil	540.11	K	Relay (1.0) Calculated Property
Tc	776.63	K	Relay (1.0) Calculated Property
Tfus	346.22	K	Relay (1.0) Calculated Property
Vc	0.529	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[159.03; 456.93]	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			-1.11390e+02
Coefficient B			1.24120e+00
Coefficient C			-1.01028e-03
Coefficient D			3.37400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	159.03	J/mol×K	273.00	Calculated Property
Cp,gas	216.21	J/mol×K	353.78	Calculated Property
Cp,gas	264.89	J/mol×K	434.56	Calculated Property
Cp,gas	306.12	J/mol×K	515.33	Calculated Property
Cp,gas	340.97	J/mol×K	596.11	Calculated Property
Cp,gas	370.52	J/mol×K	676.89	Calculated Property
Cp,gas	395.82	J/mol×K	757.67	Calculated Property
Cp,gas	417.94	J/mol×K	838.44	Calculated Property
Cp,gas	437.96	J/mol×K	919.22	Calculated Property
Cp,gas	456.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017806; 0.0007194]	Pa×s	[333.34; 542.42]	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			-8.68186e+00
Coefficient B			7.83700e+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.			333.34
Temperature range, max.			542.42
η	0.0017806	Pa×s	333.34	Calculated Property
η	0.0015277	Pa×s	356.57	Calculated Property
η	0.0013355	Pa×s	379.80	Calculated Property
η	0.0011858	Pa×s	403.03	Calculated Property
η	0.0010666	Pa×s	426.26	Calculated Property
η	0.0009699	Pa×s	449.49	Calculated Property
η	0.0008902	Pa×s	472.72	Calculated Property
η	0.0008237	Pa×s	495.95	Calculated Property
η	0.0007675	Pa×s	519.19	Calculated Property
η	0.0007194	Pa×s	542.42	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3,6,7,8-Hexahydro-as-indacene.

Sources

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

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