Chemical Properties of Heptane, 1,1-diphenyl- (CAS 1530-05-8)

InChI

InChI=1S/C19H24/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h5-10,12-15,19H,2-4,11,16H2,1H3

InChI Key

MZLKNWMNBXHXMA-UHFFFAOYSA-N

Formula

C19H24

SMILES

CCCCCCC(c1ccccc1)c1ccccc1

Molecular Weight¹

252.39

CAS

1530-05-8

Other Names

• 1,1-Diphenylheptane
• Benzene, 1,1'-heptylidenebis-

• 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).
• 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	0.5902		Relay (1.0) Calculated Property
ΔfG°	331.48	kJ/mol	Joback Calculated Property
ΔfH°gas	59.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.52	kJ/mol	Joback Calculated Property
ΔvapH°	83.19	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
log10WS	-6.53		Relay (1.0) Calculated Property
logPoct/wat	5.789		Crippen Calculated Property
McVol	231.050	ml/mol	McGowan Calculated Property
Pc	1777.34	kPa	Joback Calculated Property
Tboil	506.00 ± 4.00	K	NIST
Tc	831.00	K	Relay (1.0) Calculated Property
Tfus	[286.05; 287.00]	K
Tfus	286.05 ± 0.50	K	NIST
Tfus	286.10 ± 1.00	K	NIST
Tfus	287.00 ± 4.00	K	NIST
Tfus	287.00 ± 2.00	K	NIST
Vc	0.851	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[293.72; 763.04]	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			-8.38750e+01
Coefficient B			1.65692e+00
Coefficient C			-1.07540e-03
Coefficient D			2.65400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	293.72	J/mol×K	273.00	Calculated Property
Cp,gas	379.46	J/mol×K	353.78	Calculated Property
Cp,gas	454.85	J/mol×K	434.56	Calculated Property
Cp,gas	520.72	J/mol×K	515.33	Calculated Property
Cp,gas	577.91	J/mol×K	596.11	Calculated Property
Cp,gas	627.26	J/mol×K	676.89	Calculated Property
Cp,gas	669.61	J/mol×K	757.67	Calculated Property
Cp,gas	705.80	J/mol×K	838.44	Calculated Property
Cp,gas	736.66	J/mol×K	919.22	Calculated Property
Cp,gas	763.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0090802; 0.0001322]	Pa×s	[286.54; 636.46]	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			-1.23940e+01
Coefficient B			2.20414e+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.			286.54
Temperature range, max.			636.46
η	0.0090802	Pa×s	286.54	Calculated Property
η	0.0036220	Pa×s	325.42	Calculated Property
η	0.0017579	Pa×s	364.30	Calculated Property
η	0.0009809	Pa×s	403.18	Calculated Property
η	0.0006064	Pa×s	442.06	Calculated Property
η	0.0004053	Pa×s	480.94	Calculated Property
η	0.0002876	Pa×s	519.82	Calculated Property
η	0.0002141	Pa×s	558.70	Calculated Property
η	0.0001657	Pa×s	597.58	Calculated Property
η	0.0001322	Pa×s	636.46	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[454.62; 667.51]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.34455e+01
Coefficient B			-4.53529e+03
Coefficient C			-1.09938e+02
Temperature range, min.			454.62
Temperature range, max.			667.51
Pvap	1.33	kPa	454.62	Calculated Property
Pvap	3.10	kPa	478.27	Calculated Property
Pvap	6.52	kPa	501.93	Calculated Property
Pvap	12.60	kPa	525.58	Calculated Property
Pvap	22.68	kPa	549.24	Calculated Property
Pvap	38.44	kPa	572.89	Calculated Property
Pvap	61.89	kPa	596.55	Calculated Property
Pvap	95.33	kPa	620.20	Calculated Property
Pvap	141.33	kPa	643.86	Calculated Property
Pvap	202.65	kPa	667.51	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 1,1-diphenyl-.

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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