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

190.32

CAS

777-22-0

Other Names

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

• 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).
• 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
ΔfG°	176.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-101.04	kJ/mol	Joback Calculated Property
ΔfusH°	22.53	kJ/mol	Joback Calculated Property
ΔvapH°	70.00	kJ/mol	NIST
log10WS	-4.75		Crippen 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	744.01	K	Joback Calculated Property
Tfus	234.30 ± 0.50	K	NIST
Vc	0.706	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[442.13; 539.50]	J/mol×K	[545.96; 744.01]
Cp,gas	442.13	J/mol×K	545.96	Joback Calculated Property
Cp,gas	460.73	J/mol×K	578.97	Joback Calculated Property
Cp,gas	478.33	J/mol×K	611.98	Joback Calculated Property
Cp,gas	494.96	J/mol×K	644.99	Joback Calculated Property
Cp,gas	510.68	J/mol×K	678.00	Joback Calculated Property
Cp,gas	525.51	J/mol×K	711.00	Joback Calculated Property
Cp,gas	539.50	J/mol×K	744.01	Joback Calculated Property
η	[0.0001693; 0.0053384]	Pa×s	[258.96; 545.96]
η	0.0053384	Pa×s	258.96	Joback Calculated Property
η	0.0019183	Pa×s	306.79	Joback Calculated Property
η	0.0009085	Pa×s	354.63	Joback Calculated Property
η	0.0005139	Pa×s	402.46	Joback Calculated Property
η	0.0003281	Pa×s	450.29	Joback Calculated Property
η	0.0002284	Pa×s	498.13	Joback Calculated Property
η	0.0001693	Pa×s	545.96	Joback Calculated Property
ΔvapH	61.60	kJ/mol	376.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[391.15; 570.33]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

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

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