Chemical Properties of 1-Heptanol, 3-methyl- (CAS 1070-32-2)

InChI

InChI=1S/C8H18O/c1-3-4-5-8(2)6-7-9/h8-9H,3-7H2,1-2H3

InChI Key

MUPPEBVXFKNMCI-UHFFFAOYSA-N

Formula

C8H18O

SMILES

CCCCC(C)CCO

Molecular Weight¹

130.23

CAS

1070-32-2

Other Names

• 3-Methyl-1-heptanol
• 3-Methylheptanol

• 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_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°	-122.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-365.96	kJ/mol	Joback Calculated Property
ΔfusH°	17.04	kJ/mol	Joback Calculated Property
ΔvapH°	49.69	kJ/mol	Joback Calculated Property
log10WS	-2.19		Crippen Calculated Property
logPoct/wat	2.195		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
Pc	2811.36	kPa	Joback Calculated Property
Inp	[1041.00; 1041.00]
Inp	1041.00		NIST
Inp	1041.00		NIST
Tboil	458.95 ± 0.50	K	NIST
Tc	637.10	K	Joback Calculated Property
Tfus	225.74	K	Joback Calculated Property
Vc	0.496	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[290.23; 354.79]	J/mol×K	[474.18; 637.10]
Cp,gas	290.23	J/mol×K	474.18	Joback Calculated Property
Cp,gas	302.08	J/mol×K	501.33	Joback Calculated Property
Cp,gas	313.47	J/mol×K	528.49	Joback Calculated Property
Cp,gas	324.43	J/mol×K	555.64	Joback Calculated Property
Cp,gas	334.96	J/mol×K	582.79	Joback Calculated Property
Cp,gas	345.08	J/mol×K	609.94	Joback Calculated Property
Cp,gas	354.79	J/mol×K	637.10	Joback Calculated Property
η	[0.0001689; 0.1178389]	Pa×s	[225.74; 474.18]
η	0.1178389	Pa×s	225.74	Joback Calculated Property
η	0.0169844	Pa×s	267.15	Joback Calculated Property
η	0.0041171	Pa×s	308.55	Joback Calculated Property
η	0.0013956	Pa×s	349.96	Joback Calculated Property
η	0.0005948	Pa×s	391.37	Joback Calculated Property
η	0.0002984	Pa×s	432.77	Joback Calculated Property
η	0.0001689	Pa×s	474.18	Joback Calculated Property
ΔvapH	53.40	kJ/mol	409.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[347.73; 484.39]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.70207e+01
Coefficient B			-5.32992e+03
Coefficient C			-2.92000e+01
Temperature range, min.			347.73
Temperature range, max.			484.39
Pvap	1.33	kPa	347.73	Calculated Property
Pvap	2.86	kPa	362.91	Calculated Property
Pvap	5.72	kPa	378.10	Calculated Property
Pvap	10.82	kPa	393.28	Calculated Property
Pvap	19.44	kPa	408.47	Calculated Property
Pvap	33.40	kPa	423.65	Calculated Property
Pvap	55.11	kPa	438.84	Calculated Property
Pvap	87.75	kPa	454.02	Calculated Property
Pvap	135.29	kPa	469.21	Calculated Property
Pvap	202.65	kPa	484.39	Calculated Property

Similar Compounds

Find more compounds similar to 1-Heptanol, 3-methyl-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.