Chemical Properties of Benzene, 1,1'-(1,3-propanediyl)bis- (CAS 1081-75-0)

InChI

InChI=1S/C15H16/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2

InChI Key

VEAFKIYNHVBNIP-UHFFFAOYSA-N

Formula

C15H16

SMILES

c1ccc(CCCc2ccccc2)cc1

Molecular Weight¹

196.29

CAS

1081-75-0

Other Names

• 1,3-Diphenylpropane
• Propane, 1,3-diphenyl-

• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.4927		Relay (1.0) Calculated Property
PAff	820.10	kJ/mol	NIST
BasG	787.60	kJ/mol	NIST
ΔcH°liquid	[-8245.00; -7887.00]	kJ/mol
ΔcH°liquid	-7887.00	kJ/mol	NIST
ΔcH°liquid	-8245.00	kJ/mol	NIST
ΔfG°	300.24	kJ/mol	Joback Calculated Property
ΔfH°gas	134.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.69	kJ/mol	Joback Calculated Property
ΔvapH°	81.49	kJ/mol	Relay (1.0) Calculated Property
IE	[8.60; 8.79]	eV
IE	8.79 ± 0.05	eV	NIST
IE	8.60 ± 0.10	eV	NIST
log10WS	-5.04		Relay (1.0) Calculated Property
logPoct/wat	3.862		Crippen Calculated Property
McVol	174.690	ml/mol	McGowan Calculated Property
Pc	2510.03	kPa	Joback Calculated Property
Inp	[1606.00; 1632.80]
Inp	1606.00		NIST
Inp	1632.80		NIST
Inp	1606.00		NIST
I	2223.00		NIST
Tboil	573.50	K	NIST
Tc	799.47	K	Relay (1.0) Calculated Property
Tfus	262.63	K	Relay (1.0) Calculated Property
Vc	0.668	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[397.20; 441.50]	K	[0.30; 2.70]
Tboilr	397.20	K	0.30	NIST
Tboilr	441.50 ± 0.50	K	2.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[209.18; 556.14]	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			-7.85570e+01
Coefficient B			1.27100e+00
Coefficient C			-8.54600e-04
Coefficient D			2.18300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	209.18	J/mol×K	273.00	Calculated Property
Cp,gas	273.80	J/mol×K	353.78	Calculated Property
Cp,gas	330.30	J/mol×K	434.56	Calculated Property
Cp,gas	379.35	J/mol×K	515.33	Calculated Property
Cp,gas	421.66	J/mol×K	596.11	Calculated Property
Cp,gas	457.91	J/mol×K	676.89	Calculated Property
Cp,gas	488.80	J/mol×K	757.67	Calculated Property
Cp,gas	515.00	J/mol×K	838.44	Calculated Property
Cp,gas	537.22	J/mol×K	919.22	Calculated Property
Cp,gas	556.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025471; 0.0001771]	Pa×s	[311.65; 581.66]	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			-1.17154e+01
Coefficient B			1.78968e+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.			311.65
Temperature range, max.			581.66
η	0.0025471	Pa×s	311.65	Calculated Property
η	0.0015383	Pa×s	341.65	Calculated Property
η	0.0010079	Pa×s	371.65	Calculated Property
η	0.0007034	Pa×s	401.65	Calculated Property
η	0.0005161	Pa×s	431.65	Calculated Property
η	0.0003942	Pa×s	461.65	Calculated Property
η	0.0003111	Pa×s	491.65	Calculated Property
η	0.0002524	Pa×s	521.65	Calculated Property
η	0.0002094	Pa×s	551.66	Calculated Property
η	0.0001771	Pa×s	581.66	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[427.16; 609.63]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.45693e+01
Coefficient B			-4.80231e+03
Coefficient C			-9.09030e+01
Temperature range, min.			427.16
Temperature range, max.			609.63
Pvap	1.33	kPa	427.16	Calculated Property
Pvap	3.00	kPa	447.43	Calculated Property
Pvap	6.20	kPa	467.71	Calculated Property
Pvap	11.88	kPa	487.98	Calculated Property
Pvap	21.39	kPa	508.26	Calculated Property
Pvap	36.45	kPa	528.53	Calculated Property
Pvap	59.25	kPa	548.81	Calculated Property
Pvap	92.42	kPa	569.08	Calculated Property
Pvap	139.05	kPa	589.36	Calculated Property
Pvap	202.64	kPa	609.63	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1'-(1,3-propanediyl)bis-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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