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-

• 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
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	120.13	kJ/mol	Joback Calculated Property
ΔfusH°	22.69	kJ/mol	Joback Calculated Property
ΔvapH°	53.54	kJ/mol	Joback Calculated Property
IE	[8.60; 8.79]	eV
IE	8.79 ± 0.05	eV	NIST
IE	8.60 ± 0.10	eV	NIST
log10WS	-4.31		Crippen 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	1632.80		NIST
Inp	1632.80		NIST
Inp	1632.80		NIST
Inp	1606.00		NIST
Inp	1606.00		NIST
I	2223.00		NIST
Tboil	573.50	K	NIST
Tc	830.66	K	Joback Calculated Property
Tfus	311.65	K	Joback Calculated Property
Vc	0.659	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[421.59; 512.66]	J/mol×K	[595.96; 830.66]
Cp,gas	421.59	J/mol×K	595.96	Joback Calculated Property
Cp,gas	439.86	J/mol×K	635.08	Joback Calculated Property
Cp,gas	456.79	J/mol×K	674.19	Joback Calculated Property
Cp,gas	472.46	J/mol×K	713.31	Joback Calculated Property
Cp,gas	486.94	J/mol×K	752.43	Joback Calculated Property
Cp,gas	500.31	J/mol×K	791.54	Joback Calculated Property
Cp,gas	512.66	J/mol×K	830.66	Joback Calculated Property
η	[0.0001645; 0.0025471]	Pa×s	[311.65; 595.96]
η	0.0025471	Pa×s	311.65	Joback Calculated Property
η	0.0011937	Pa×s	359.04	Joback Calculated Property
η	0.0006676	Pa×s	406.42	Joback Calculated Property
η	0.0004215	Pa×s	453.81	Joback Calculated Property
η	0.0002903	Pa×s	501.19	Joback Calculated Property
η	0.0002133	Pa×s	548.58	Joback Calculated Property
η	0.0001645	Pa×s	595.96	Joback Calculated Property
ΔvapH	61.50	kJ/mol	459.50	NIST

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
Pvap	[1.33; 202.64]	kPa	[427.16; 609.63]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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