Chemical Properties of 2-Heptanol, 3-methyl- (CAS 31367-46-1)

InChI

InChI=1S/C8H18O/c1-4-5-6-7(2)8(3)9/h7-9H,4-6H2,1-3H3

InChI Key

SZERMVMTUUAYML-UHFFFAOYSA-N

Formula

C8H18O

SMILES

CCCCC(C)C(C)O

Molecular Weight¹

130.23

CAS

31367-46-1

Other Names

• 3-Methyl-2-heptanol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• 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°	-125.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-371.24	kJ/mol	Joback Calculated Property
ΔfusH°	13.52	kJ/mol	Joback Calculated Property
ΔvapH°	49.31	kJ/mol	Joback Calculated Property
log10WS	-1.72		Aq. Sol...
logPoct/wat	2.194		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
Pc	2835.36	kPa	Joback Calculated Property
Tboil	[439.25; 445.65]	K
Tboil	439.30	K	NIST
Tboil	439.25 ± 0.50	K	NIST
Tboil	445.65 ± 3.00	K	NIST
Tc	639.93	K	Joback Calculated Property
Tfus	210.74	K	Joback Calculated Property
Vc	0.490	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[290.39; 356.45]	J/mol×K	[473.74; 639.93]
Cp,gas	290.39	J/mol×K	473.74	Joback Calculated Property
Cp,gas	302.54	J/mol×K	501.44	Joback Calculated Property
Cp,gas	314.22	J/mol×K	529.14	Joback Calculated Property
Cp,gas	325.44	J/mol×K	556.84	Joback Calculated Property
Cp,gas	336.21	J/mol×K	584.53	Joback Calculated Property
Cp,gas	346.54	J/mol×K	612.23	Joback Calculated Property
Cp,gas	356.45	J/mol×K	639.93	Joback Calculated Property
Cp,liquid	297.50	J/mol×K	298.50	NIST
η	[0.0001609; 0.3001577]	Pa×s	[210.74; 473.74]
η	0.3001577	Pa×s	210.74	Joback Calculated Property
η	0.0290327	Pa×s	254.57	Joback Calculated Property
η	0.0055777	Pa×s	298.41	Joback Calculated Property
η	0.0016351	Pa×s	342.24	Joback Calculated Property
η	0.0006333	Pa×s	386.07	Joback Calculated Property
η	0.0002977	Pa×s	429.91	Joback Calculated Property
η	0.0001609	Pa×s	473.74	Joback Calculated Property
ΔvapH	48.00	kJ/mol	390.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[328.25; 464.42]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.74676e+01
Coefficient B			-5.66044e+03
Coefficient C			1.22600e+00
Temperature range, min.			328.25
Temperature range, max.			464.42
Pvap	1.33	kPa	328.25	Calculated Property
Pvap	2.83	kPa	343.38	Calculated Property
Pvap	5.66	kPa	358.51	Calculated Property
Pvap	10.67	kPa	373.64	Calculated Property
Pvap	19.17	kPa	388.77	Calculated Property
Pvap	32.97	kPa	403.90	Calculated Property
Pvap	54.52	kPa	419.03	Calculated Property
Pvap	87.06	kPa	434.16	Calculated Property
Pvap	134.73	kPa	449.29	Calculated Property
Pvap	202.65	kPa	464.42	Calculated Property

Similar Compounds

Find more compounds similar to 2-Heptanol, 3-methyl-.

Sources

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

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