Chemical Properties of Benzene, (1-methylheptyl)- (CAS 777-22-0)

InChI

InChI=1S/C14H22/c1-3-4-5-7-10-13(2)14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3

InChI Key

GTYIGAUPHJCMLF-UHFFFAOYSA-N

Formula

C14H22

SMILES

CCCCCCC(C)c1ccccc1

Molecular Weight¹

190.33

CAS

777-22-0

Other Names

• (1-Methylheptyl)benzene
• 2-Phenyloctane
• Octane, 2-phenyl-

• 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).
• 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.
• 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	0.4968		Relay (1.0) Calculated Property
ΔfG°	176.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-96.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.53	kJ/mol	Joback Calculated Property
ΔvapH°	70.00	kJ/mol	NIST
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	-5.66		Relay (1.0) Calculated Property
logPoct/wat	4.761		Crippen Calculated Property
McVol	184.360	ml/mol	McGowan Calculated Property
Pc	2023.58	kPa	Joback Calculated Property
Inp	[1358.00; 1400.00]
Inp	1358.00		NIST
Inp	1382.00		NIST
Inp	1388.00		NIST
Inp	1390.00		NIST
Inp	1400.00		NIST
Inp	1382.00		NIST
Inp	1358.00		NIST
Tboil	522.65 ± 0.50	K	NIST
Tc	721.82	K	Relay (1.0) Calculated Property
Tfus	234.30 ± 0.50	K	NIST
Vc	0.691	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[244.90; 623.62]	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			-4.54250e+01
Coefficient B			1.26084e+00
Coefficient C			-7.72200e-04
Coefficient D			1.80400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	244.90	J/mol×K	273.00	Calculated Property
Cp,gas	311.97	J/mol×K	353.78	Calculated Property
Cp,gas	371.46	J/mol×K	434.56	Calculated Property
Cp,gas	423.94	J/mol×K	515.33	Calculated Property
Cp,gas	469.99	J/mol×K	596.11	Calculated Property
Cp,gas	510.17	J/mol×K	676.89	Calculated Property
Cp,gas	545.05	J/mol×K	757.67	Calculated Property
Cp,gas	575.20	J/mol×K	838.44	Calculated Property
Cp,gas	601.20	J/mol×K	919.22	Calculated Property
Cp,gas	623.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0106529; 0.0001966]	Pa×s	[234.30; 521.00]	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			-1.17972e+01
Coefficient B			1.69992e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			234.30
Temperature range, max.			521.00
η	0.0106529	Pa×s	234.30	Calculated Property
η	0.0044703	Pa×s	266.16	Calculated Property
η	0.0022586	Pa×s	298.01	Calculated Property
η	0.0013020	Pa×s	329.87	Calculated Property
η	0.0008270	Pa×s	361.72	Calculated Property
η	0.0005653	Pa×s	393.58	Calculated Property
η	0.0004091	Pa×s	425.43	Calculated Property
η	0.0003097	Pa×s	457.29	Calculated Property
η	0.0002431	Pa×s	489.14	Calculated Property
η	0.0001966	Pa×s	521.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[391.15; 570.33]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38447e+01
Coefficient B			-4.12602e+03
Coefficient C			-8.68040e+01
Temperature range, min.			391.15
Temperature range, max.			570.33
Pvap	1.33	kPa	391.15	Calculated Property
Pvap	3.07	kPa	411.06	Calculated Property
Pvap	6.40	kPa	430.97	Calculated Property
Pvap	12.33	kPa	450.88	Calculated Property
Pvap	22.18	kPa	470.79	Calculated Property
Pvap	37.67	kPa	490.69	Calculated Property
Pvap	60.88	kPa	510.60	Calculated Property
Pvap	94.23	kPa	530.51	Calculated Property
Pvap	140.48	kPa	550.42	Calculated Property
Pvap	202.65	kPa	570.33	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (1-methylheptyl)-.

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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