Chemical Properties of 3-Heptanol, 2,6-dimethyl- (CAS 19549-73-6)

InChI

InChI=1S/C9H20O/c1-7(2)5-6-9(10)8(3)4/h7-10H,5-6H2,1-4H3

InChI Key

XZDMJRIWJSNEGC-UHFFFAOYSA-N

Formula

C9H20O

SMILES

CC(C)CCC(O)C(C)C

Molecular Weight¹

144.25

CAS

19549-73-6

Other Names

• 2,6-Dimethyl-3-heptanol

• 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).
• 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°	-119.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-397.16	kJ/mol	Joback Calculated Property
ΔfusH°	12.58	kJ/mol	Joback Calculated Property
ΔvapH°	51.14	kJ/mol	Joback Calculated Property
log10WS	-2.48		Crippen Calculated Property
logPoct/wat	2.440		Crippen Calculated Property
McVol	143.540	ml/mol	McGowan Calculated Property
Pc	2587.22	kPa	Joback Calculated Property
Tboil	[444.15; 448.65]	K
Tboil	444.15 ± 5.00	K	NIST
Tboil	448.65 ± 4.00	K	NIST
Tboil	448.15 ± 5.00	K	NIST
Tc	664.60	K	Joback Calculated Property
Tfus	207.01	K	Joback Calculated Property
Vc	0.540	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[334.97; 407.30]	J/mol×K	[496.18; 664.60]
Cp,gas	334.97	J/mol×K	496.18	Joback Calculated Property
Cp,gas	348.32	J/mol×K	524.25	Joback Calculated Property
Cp,gas	361.14	J/mol×K	552.32	Joback Calculated Property
Cp,gas	373.44	J/mol×K	580.39	Joback Calculated Property
Cp,gas	385.22	J/mol×K	608.46	Joback Calculated Property
Cp,gas	396.50	J/mol×K	636.53	Joback Calculated Property
Cp,gas	407.30	J/mol×K	664.60	Joback Calculated Property
η	[0.0001269; 0.5757064]	Pa×s	[207.01; 496.18]
η	0.5757064	Pa×s	207.01	Joback Calculated Property
η	0.0376026	Pa×s	255.20	Joback Calculated Property
η	0.0058439	Pa×s	303.40	Joback Calculated Property
η	0.0015130	Pa×s	351.59	Joback Calculated Property
η	0.0005426	Pa×s	399.79	Joback Calculated Property
η	0.0002426	Pa×s	447.98	Joback Calculated Property
η	0.0001269	Pa×s	496.18	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[345.52; 466.78]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.69034e+01
Coefficient B			-4.64883e+03
Coefficient C			-6.57360e+01
Temperature range, min.			345.52
Temperature range, max.			466.78
Pvap	1.33	kPa	345.52	Calculated Property
Pvap	2.86	kPa	358.99	Calculated Property
Pvap	5.74	kPa	372.47	Calculated Property
Pvap	10.86	kPa	385.94	Calculated Property
Pvap	19.52	kPa	399.41	Calculated Property
Pvap	33.51	kPa	412.89	Calculated Property
Pvap	55.27	kPa	426.36	Calculated Property
Pvap	87.93	kPa	439.83	Calculated Property
Pvap	135.45	kPa	453.31	Calculated Property
Pvap	202.66	kPa	466.78	Calculated Property

Similar Compounds

Find more compounds similar to 3-Heptanol, 2,6-dimethyl-.

Sources

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

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