Chemical Properties of 1-Pentanol, 3,4-dimethyl- (CAS 6570-87-2)

InChI

InChI=1S/C7H16O/c1-6(2)7(3)4-5-8/h6-8H,4-5H2,1-3H3

InChI Key

SVJNECJVNWTYQG-UHFFFAOYSA-N

Formula

C7H16O

SMILES

CC(C)C(C)CCO

Molecular Weight¹

116.20

CAS

6570-87-2

Other Names

• 3,4-Dimethyl-1-pentanol
• Pentanol, 3,4-dimethyl

• 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 : 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°	-133.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-350.60	kJ/mol	Joback Calculated Property
ΔfusH°	10.93	kJ/mol	Joback Calculated Property
ΔvapH°	47.08	kJ/mol	Joback Calculated Property
log10WS	-1.53		Crippen Calculated Property
logPoct/wat	1.661		Crippen Calculated Property
McVol	115.360	ml/mol	McGowan Calculated Property
Pc	3149.09	kPa	Joback Calculated Property
I	1412.00		NIST
Tboil	[433.65; 443.45]	K
Tboil	438.15 ± 3.00	K	NIST
Tboil	439.65 ± 5.00	K	NIST
Tboil	438.40 ± 3.00	K	NIST
Tboil	443.45 ± 5.00	K	NIST
Tboil	437.15 ± 3.00	K	NIST
Tboil	433.65 ± 3.00	K	NIST
Tc	618.05	K	Joback Calculated Property
Tfus	199.47	K	Joback Calculated Property
Vc	0.434	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[248.03; 308.82]	J/mol×K	[450.86; 618.05]
Cp,gas	248.03	J/mol×K	450.86	Joback Calculated Property
Cp,gas	259.20	J/mol×K	478.73	Joback Calculated Property
Cp,gas	269.95	J/mol×K	506.59	Joback Calculated Property
Cp,gas	280.27	J/mol×K	534.46	Joback Calculated Property
Cp,gas	290.18	J/mol×K	562.32	Joback Calculated Property
Cp,gas	299.70	J/mol×K	590.19	Joback Calculated Property
Cp,gas	308.82	J/mol×K	618.05	Joback Calculated Property
η	[0.0001931; 0.4386858]	Pa×s	[199.47; 450.86]
η	0.4386858	Pa×s	199.47	Joback Calculated Property
η	0.0395574	Pa×s	241.37	Joback Calculated Property
η	0.0072680	Pa×s	283.27	Joback Calculated Property
η	0.0020664	Pa×s	325.16	Joback Calculated Property
η	0.0007829	Pa×s	367.06	Joback Calculated Property
η	0.0003619	Pa×s	408.96	Joback Calculated Property
η	0.0001931	Pa×s	450.86	Joback Calculated Property
ΔvapH	50.30	kJ/mol	415.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[333.53; 462.45]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.61872e+01
Coefficient B			-4.43738e+03
Coefficient C			-5.44380e+01
Temperature range, min.			333.53
Temperature range, max.			462.45
Pvap	1.33	kPa	333.53	Calculated Property
Pvap	2.90	kPa	347.85	Calculated Property
Pvap	5.86	kPa	362.18	Calculated Property
Pvap	11.13	kPa	376.50	Calculated Property
Pvap	20.01	kPa	390.83	Calculated Property
Pvap	34.29	kPa	405.15	Calculated Property
Pvap	56.33	kPa	419.48	Calculated Property
Pvap	89.15	kPa	433.80	Calculated Property
Pvap	136.44	kPa	448.13	Calculated Property
Pvap	202.68	kPa	462.45	Calculated Property

Similar Compounds

Find more compounds similar to 1-Pentanol, 3,4-dimethyl-.

Sources

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

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