Chemical Properties of Benzene, butoxy- (CAS 1126-79-0)

InChI

InChI=1S/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3

InChI Key

YFNONBGXNFCTMM-UHFFFAOYSA-N

Formula

C10H14O

SMILES

CCCCOc1ccccc1

Molecular Weight¹

150.22

CAS

1126-79-0

Other Names

• Butoxybenzene
• Butyl phenyl ether
• Ether, butyl phenyl
• Phenyl butyl ether
• n-Butoxybenzene
• n-Butyl phenyl ether

• 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	0.4732		Relay (1.0) Calculated Property
ΔfG°	40.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-140.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.89	kJ/mol	Joback Calculated Property
ΔvapH°	53.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-3.15		Relay (1.0) Calculated Property
logPoct/wat	2.865		Crippen Calculated Property
McVol	133.870	ml/mol	McGowan Calculated Property
Pc	2878.12	kPa	Joback Calculated Property
Inp	[1164.00; 1170.00]
Inp	1167.50		NIST
Inp	1164.00		NIST
Inp	1170.00		NIST
Inp	1167.50		NIST
Inp	1164.00		NIST
Tboil	[479.15; 483.20]	K
Tboil	483.20	K	NIST
Tboil	479.15 ± 3.00	K	NIST
Tc	683.31	K	Relay (1.0) Calculated Property
Tfus	242.64	K	Relay (1.0) Calculated Property
Vc	0.500	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[175.77; 435.21]	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			-1.46070e+01
Coefficient B			8.11720e-01
Coefficient C			-4.40400e-04
Coefficient D			7.85000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	175.77	J/mol×K	273.00	Calculated Property
Cp,gas	220.92	J/mol×K	353.78	Calculated Property
Cp,gas	261.41	J/mol×K	434.56	Calculated Property
Cp,gas	297.49	J/mol×K	515.33	Calculated Property
Cp,gas	329.40	J/mol×K	596.11	Calculated Property
Cp,gas	357.40	J/mol×K	676.89	Calculated Property
Cp,gas	381.73	J/mol×K	757.67	Calculated Property
Cp,gas	402.65	J/mol×K	838.44	Calculated Property
Cp,gas	420.39	J/mol×K	919.22	Calculated Property
Cp,gas	435.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027820; 0.0001963]	Pa×s	[251.11; 476.49]	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			-1.14899e+01
Coefficient B			1.40755e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			251.11
Temperature range, max.			476.49
η	0.0027820	Pa×s	251.11	Calculated Property
η	0.0016734	Pa×s	276.15	Calculated Property
η	0.0010954	Pa×s	301.20	Calculated Property
η	0.0007652	Pa×s	326.24	Calculated Property
η	0.0005626	Pa×s	351.28	Calculated Property
η	0.0004309	Pa×s	376.32	Calculated Property
η	0.0003412	Pa×s	401.37	Calculated Property
η	0.0002777	Pa×s	426.41	Calculated Property
η	0.0002312	Pa×s	451.45	Calculated Property
η	0.0001963	Pa×s	476.49	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[355.95; 514.36]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47378e+01
Coefficient B			-4.29489e+03
Coefficient C			-5.87320e+01
Temperature range, min.			355.95
Temperature range, max.			514.36
Pvap	1.33	kPa	355.95	Calculated Property
Pvap	2.99	kPa	373.55	Calculated Property
Pvap	6.16	kPa	391.15	Calculated Property
Pvap	11.79	kPa	408.75	Calculated Property
Pvap	21.22	kPa	426.35	Calculated Property
Pvap	36.19	kPa	443.96	Calculated Property
Pvap	58.90	kPa	461.56	Calculated Property
Pvap	92.04	kPa	479.16	Calculated Property
Pvap	138.76	kPa	496.76	Calculated Property
Pvap	202.65	kPa	514.36	Calculated Property
Pvap	[6.29; 101.16]	kPa	[392.03; 483.40]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.45179e+01
Coefficient B			-4.12981e+03
Coefficient C			-6.63000e+01
Reference			Dreisbach and Shrader, 1949
Temperature range, min.			392.03
Temperature range, max.			483.40
Pvap	6.29	kPa	392.03	Calculated Property
Pvap	9.23	kPa	402.18	Calculated Property
Pvap	13.24	kPa	412.33	Calculated Property
Pvap	18.60	kPa	422.49	Calculated Property
Pvap	25.65	kPa	432.64	Calculated Property
Pvap	34.77	kPa	442.79	Calculated Property
Pvap	46.37	kPa	452.94	Calculated Property
Pvap	60.95	kPa	463.10	Calculated Property
Pvap	79.02	kPa	473.25	Calculated Property
Pvap	101.16	kPa	483.40	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, butoxy-.

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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