Chemical Properties of Benzene, 1,1'-propylidenebis- (CAS 1530-03-6)

InChI

InChI=1S/C15H16/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3

InChI Key

BUZMJVBOGDBMGI-UHFFFAOYSA-N

Formula

C15H16

SMILES

CCC(c1ccccc1)c1ccccc1

Molecular Weight¹

196.29

CAS

1530-03-6

Other Names

• 1,1-Diphenylpropane

• ω : Acentric Factor.
• 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	0.4187		Relay (1.0) Calculated Property
ΔcH°liquid	[-8245.00; -7887.00]	kJ/mol
ΔcH°liquid	-7887.00	kJ/mol	NIST
ΔcH°liquid	-8245.00	kJ/mol	NIST
ΔfG°	297.80	kJ/mol	Joback Calculated Property
ΔfH°gas	126.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.17	kJ/mol	Joback Calculated Property
ΔvapH°	72.80 ± 0.40	kJ/mol	NIST
IE	8.58	eV	Relay (1.0) Calculated Property
log10WS	-4.65		Relay (1.0) Calculated Property
logPoct/wat	4.228		Crippen Calculated Property
McVol	174.690	ml/mol	McGowan Calculated Property
Pc	2530.27	kPa	Joback Calculated Property
Tboil	[547.00; 556.37]	K
Tboil	556.37 ± 0.20	K	NIST
Tboil	556.37 ± 0.30	K	NIST
Tboil	553.00 ± 3.00	K	NIST
Tboil	550.00 ± 5.00	K	NIST
Tboil	547.00 ± 3.00	K	NIST
Tboil	552.20 ± 3.00	K	NIST
Tboil	552.20 ± 3.00	K	NIST
Tc	790.46	K	Relay (1.0) Calculated Property
Tfus	[267.00; 286.80]	K
Tfus	286.80	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	286.44 ± 0.20	K	NIST
Tfus	286.44 ± 0.50	K	NIST
Tfus	267.00 ± 3.00	K	NIST
Tfus	286.44 ± 0.20	K	NIST
Vc	0.633	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[208.86; 556.68]	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			-8.02390e+01
Coefficient B			1.27692e+00
Coefficient C			-8.57800e-04
Coefficient D			2.17800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	208.86	J/mol×K	273.00	Calculated Property
Cp,gas	273.79	J/mol×K	353.78	Calculated Property
Cp,gas	330.54	J/mol×K	434.56	Calculated Property
Cp,gas	379.80	J/mol×K	515.33	Calculated Property
Cp,gas	422.27	J/mol×K	596.11	Calculated Property
Cp,gas	458.62	J/mol×K	676.89	Calculated Property
Cp,gas	489.54	J/mol×K	757.67	Calculated Property
Cp,gas	515.74	J/mol×K	838.44	Calculated Property
Cp,gas	537.89	J/mol×K	919.22	Calculated Property
Cp,gas	556.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045931; 0.0001624]	Pa×s	[282.62; 585.02]	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			-1.18494e+01
Coefficient B			1.82750e+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.			282.62
Temperature range, max.			585.02
η	0.0045931	Pa×s	282.62	Calculated Property
η	0.0023106	Pa×s	316.22	Calculated Property
η	0.0013263	Pa×s	349.82	Calculated Property
η	0.0008391	Pa×s	383.42	Calculated Property
η	0.0005716	Pa×s	417.02	Calculated Property
η	0.0004122	Pa×s	450.62	Calculated Property
η	0.0003111	Pa×s	484.22	Calculated Property
η	0.0002435	Pa×s	517.82	Calculated Property
η	0.0001964	Pa×s	551.42	Calculated Property
η	0.0001624	Pa×s	585.02	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[414.36; 585.58]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48886e+01
Coefficient B			-4.76580e+03
Coefficient C			-8.79610e+01
Temperature range, min.			414.36
Temperature range, max.			585.58
Pvap	1.33	kPa	414.36	Calculated Property
Pvap	2.98	kPa	433.38	Calculated Property
Pvap	6.12	kPa	452.41	Calculated Property
Pvap	11.71	kPa	471.43	Calculated Property
Pvap	21.07	kPa	490.46	Calculated Property
Pvap	35.96	kPa	509.48	Calculated Property
Pvap	58.60	kPa	528.51	Calculated Property
Pvap	91.70	kPa	547.53	Calculated Property
Pvap	138.48	kPa	566.56	Calculated Property
Pvap	202.63	kPa	585.58	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1'-propylidenebis-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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