Chemical Properties of 3-Butylphenol (CAS 4074-43-5)

InChI

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

InChI Key

MQSXUKPGWMJYBT-UHFFFAOYSA-N

Formula

C10H14O

SMILES

CCCCc1cccc(O)c1

Molecular Weight¹

150.22

CAS

4074-43-5

Other Names

• Phenol, 3-butyl-

• 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
ΔfG°	-8.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-190.51	kJ/mol	Joback Calculated Property
ΔfusH°	21.48	kJ/mol	Joback Calculated Property
ΔvapH°	53.14	kJ/mol	Joback Calculated Property
IE	8.90 ± 0.10	eV	NIST
log10WS	-2.66		Crippen Calculated Property
logPoct/wat	2.735		Crippen Calculated Property
McVol	133.870	ml/mol	McGowan Calculated Property
Pc	3468.36	kPa	Joback Calculated Property
Inp	[1302.00; 1302.00]
Inp	1302.00		NIST
Inp	1302.00		NIST
Tboil	[521.15; 521.20]	K
Tboil	521.20	K	NIST
Tboil	521.15 ± 3.00	K	NIST
Tboil	521.15 ± 2.00	K	NIST
Tboil	521.15 ± 3.00	K	NIST
Tc	753.87	K	Joback Calculated Property
Tfus	340.60	K	Joback Calculated Property
Vc	0.454	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[311.56; 382.17]	J/mol×K	[535.50; 753.87]
Cp,gas	311.56	J/mol×K	535.50	Joback Calculated Property
Cp,gas	325.39	J/mol×K	571.90	Joback Calculated Property
Cp,gas	338.30	J/mol×K	608.29	Joback Calculated Property
Cp,gas	350.35	J/mol×K	644.69	Joback Calculated Property
Cp,gas	361.63	J/mol×K	681.08	Joback Calculated Property
Cp,gas	372.21	J/mol×K	717.48	Joback Calculated Property
Cp,gas	382.17	J/mol×K	753.87	Joback Calculated Property
η	[0.0000606; 0.0035095]	Pa×s	[340.60; 535.50]
η	0.0035095	Pa×s	340.60	Joback Calculated Property
η	0.0013291	Pa×s	373.08	Joback Calculated Property
η	0.0005881	Pa×s	405.57	Joback Calculated Property
η	0.0002937	Pa×s	438.05	Joback Calculated Property
η	0.0001614	Pa×s	470.53	Joback Calculated Property
η	0.0000958	Pa×s	503.02	Joback Calculated Property
η	0.0000606	Pa×s	535.50	Joback Calculated Property
ΔvapH	[49.90; 62.50]	kJ/mol	[464.50; 464.50]
ΔvapH	62.50	kJ/mol	464.50	NIST
ΔvapH	56.60	kJ/mol	464.50	NIST
ΔvapH	54.40	kJ/mol	464.50	NIST
ΔvapH	49.90	kJ/mol	464.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[396.12; 549.83]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54554e+01
Coefficient B			-4.70761e+03
Coefficient C			-8.57520e+01
Temperature range, min.			396.12
Temperature range, max.			549.83
Pvap	1.33	kPa	396.12	Calculated Property
Pvap	2.94	kPa	413.20	Calculated Property
Pvap	6.00	kPa	430.28	Calculated Property
Pvap	11.44	kPa	447.36	Calculated Property
Pvap	20.57	kPa	464.44	Calculated Property
Pvap	35.18	kPa	481.51	Calculated Property
Pvap	57.54	kPa	498.59	Calculated Property
Pvap	90.51	kPa	515.67	Calculated Property
Pvap	137.53	kPa	532.75	Calculated Property
Pvap	202.64	kPa	549.83	Calculated Property

Similar Compounds

Find more compounds similar to 3-Butylphenol.

Sources

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

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