Chemical Properties of 5,6,7,8,9,10-Hexahydrobenzocyclooctene (CAS 1076-69-3)

InChI

InChI=1S/C12H16/c1-2-4-8-12-10-6-5-9-11(12)7-3-1/h5-6,9-10H,1-4,7-8H2

InChI Key

ADKYNRATSQVVPJ-UHFFFAOYSA-N

Formula

C12H16

SMILES

c1ccc2c(c1)CCCCCC2

Molecular Weight¹

160.26

CAS

1076-69-3

Other Names

• Benzocyclooctene,5,6,7,8,9,10-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	0.3233		Relay (1.0) Calculated Property
ΔfG°	185.10	kJ/mol	Joback Calculated Property
ΔfH°gas	9.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.25	kJ/mol	Joback Calculated Property
ΔvapH°	61.49	kJ/mol	Relay (1.0) Calculated Property
IE	[8.42; 8.97]	eV
IE	8.97 ± 0.03	eV	NIST
IE	8.42	eV	NIST
log10WS	-4.34		Relay (1.0) Calculated Property
logPoct/wat	3.346		Crippen Calculated Property
McVol	145.320	ml/mol	McGowan Calculated Property
Pc	3032.27	kPa	Joback Calculated Property
Tboil	527.22	K	Relay (1.0) Calculated Property
Tc	752.29	K	Relay (1.0) Calculated Property
Tfus	280.93	K	Relay (1.0) Calculated Property
Vc	0.519	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[164.96; 495.27]	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			-9.91700e+01
Coefficient B			1.15400e+00
Coefficient C			-7.29560e-04
Coefficient D			1.70000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.96	J/mol×K	273.00	Calculated Property
Cp,gas	225.31	J/mol×K	353.78	Calculated Property
Cp,gas	278.49	J/mol×K	434.56	Calculated Property
Cp,gas	325.04	J/mol×K	515.33	Calculated Property
Cp,gas	365.50	J/mol×K	596.11	Calculated Property
Cp,gas	400.41	J/mol×K	676.89	Calculated Property
Cp,gas	430.31	J/mol×K	757.67	Calculated Property
Cp,gas	455.72	J/mol×K	838.44	Calculated Property
Cp,gas	477.20	J/mol×K	919.22	Calculated Property
Cp,gas	495.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045845; 0.0001883]	Pa×s	[275.56; 540.53]	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			-1.18972e+01
Coefficient B			1.79448e+03
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.			275.56
Temperature range, max.			540.53
η	0.0045845	Pa×s	275.56	Calculated Property
η	0.0024451	Pa×s	305.00	Calculated Property
η	0.0014566	Pa×s	334.44	Calculated Property
η	0.0009437	Pa×s	363.88	Calculated Property
η	0.0006524	Pa×s	393.33	Calculated Property
η	0.0004748	Pa×s	422.77	Calculated Property
η	0.0003602	Pa×s	452.21	Calculated Property
η	0.0002826	Pa×s	481.65	Calculated Property
η	0.0002280	Pa×s	511.09	Calculated Property
η	0.0001883	Pa×s	540.53	Calculated Property

Similar Compounds

Find more compounds similar to 5,6,7,8,9,10-Hexahydrobenzocyclooctene.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.