Chemical Properties of Benzene, 1,1'-(1,6-hexanediyl)bis- (CAS 1087-49-6)

InChI

InChI=1S/C18H22/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h3-4,7-10,13-16H,1-2,5-6,11-12H2

InChI Key

DVGPMIRVCZNXMD-UHFFFAOYSA-N

Formula

C18H22

SMILES

c1ccc(CCCCCCc2ccccc2)cc1

Molecular Weight¹

238.37

CAS

1087-49-6

Other Names

• Hexane, 1,6-diphenyl-
• 1,6-Diphenylhexane

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor 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	0.6302		Relay (1.0) Calculated Property
PAff	826.10	kJ/mol	NIST
BasG	783.80	kJ/mol	NIST
ΔcH°liquid	-10230.00	kJ/mol	NIST
ΔfG°	325.50	kJ/mol	Joback Calculated Property
ΔfH°gas	89.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.46	kJ/mol	Joback Calculated Property
ΔvapH°	96.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-6.48		Relay (1.0) Calculated Property
logPoct/wat	5.032		Crippen Calculated Property
McVol	216.960	ml/mol	McGowan Calculated Property
Pc	1916.94	kPa	Joback Calculated Property
Tboil	[618.82; 618.82]	K
Tboil	618.82 ± 0.20	K	NIST
Tboil	618.82 ± 0.20	K	NIST
Tc	827.23	K	Relay (1.0) Calculated Property
Tfus	[261.16; 280.10]	K
Tfus	261.16 ± 0.05	K	NIST
Tfus	280.10 ± 2.00	K	NIST
Tfus	261.16 ± 0.05	K	NIST
Vc	0.835	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[272.82; 710.92]	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			-8.12840e+01
Coefficient B			1.55600e+00
Coefficient C			-1.01780e-03
Coefficient D			2.54000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	272.82	J/mol×K	273.00	Calculated Property
Cp,gas	353.05	J/mol×K	353.78	Calculated Property
Cp,gas	423.53	J/mol×K	434.56	Calculated Property
Cp,gas	485.04	J/mol×K	515.33	Calculated Property
Cp,gas	538.40	J/mol×K	596.11	Calculated Property
Cp,gas	584.40	J/mol×K	676.89	Calculated Property
Cp,gas	623.84	J/mol×K	757.67	Calculated Property
Cp,gas	657.55	J/mol×K	838.44	Calculated Property
Cp,gas	686.30	J/mol×K	919.22	Calculated Property
Cp,gas	710.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0126387; 0.0001540]	Pa×s	[267.47; 620.49]	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			-1.21182e+01
Coefficient B			2.07216e+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.			267.47
Temperature range, max.			620.49
η	0.0126387	Pa×s	267.47	Calculated Property
η	0.0046924	Pa×s	306.70	Calculated Property
η	0.0021811	Pa×s	345.92	Calculated Property
η	0.0011850	Pa×s	385.15	Calculated Property
η	0.0007207	Pa×s	424.37	Calculated Property
η	0.0004768	Pa×s	463.60	Calculated Property
η	0.0003364	Pa×s	502.82	Calculated Property
η	0.0002497	Pa×s	542.04	Calculated Property
η	0.0001929	Pa×s	581.27	Calculated Property
η	0.0001540	Pa×s	620.49	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[4.46e-06; 0.01]	kPa	[293.00; 373.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.41803e+01
Coefficient B			-1.08587e+04
Coefficient C			4.48800e+00
Reference			Morecroft, 1964
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			293.00
Temperature range, max.			373.00
Pvap	4.46e-06	kPa	293.00	Calculated Property
Pvap	1.29e-05	kPa	301.89	Calculated Property
Pvap	3.49e-05	kPa	310.78	Calculated Property
Pvap	8.98e-05	kPa	319.67	Calculated Property
Pvap	2.20e-04	kPa	328.56	Calculated Property
Pvap	5.12e-04	kPa	337.44	Calculated Property
Pvap	1.15e-03	kPa	346.33	Calculated Property
Pvap	2.46e-03	kPa	355.22	Calculated Property
Pvap	5.10e-03	kPa	364.11	Calculated Property
Pvap	0.01	kPa	373.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1'-(1,6-hexanediyl)bis-.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.