Mixture of 3-Carene + Caryophyllene + p-Cymene

Excel

3-Carene

Name
3-Carene
InChI
InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1
InChI Key
BQOFWKZOCNGFEC-DTWKUNHWSA-N
Formula
C10H16
SMILES
CC1=CCC2C(C1)C2(C)C
Mol. Weight (g/mol)
136.23
CAS
13466-78-9

Caryophyllene

Name
Caryophyllene
InChI
InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m0/s1
InChI Key
NPNUFJAVOOONJE-IOMPXFEGSA-N
Formula
C15H24
SMILES
C=C1CCC=C(C)CCC2C1CC2(C)C
Mol. Weight (g/mol)
204.35
CAS
87-44-5

p-Cymene

Name
p-Cymene
InChI
InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChI Key
HFPZCAJZSCWRBC-UHFFFAOYSA-N
Formula
C10H14
SMILES
Cc1ccc(C(C)C)cc1
Mol. Weight (g/mol)
134.22
CAS
99-87-6
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Datasets

  1. Temperature, K x Mole fraction (2)

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 101.33 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Caryophyllene (2) - Liquid Mole fraction of p-Cymene (3) - Liquid Mole fraction of Caryophyllene (2) - Gas Mole fraction of p-Cymene (3) - Gas
449.27 0.1394 0.1585 0.0286 0.1385
448.04 0.0643 0.2599 0.0116 0.2343
447.11 0.0319 0.3525 0.0062 0.3252
453.18 0.2712 0.1548 0.0498 0.1535
452.05 0.2014 0.2555 0.0351 0.2547
449.97 0.1115 0.3973 0.0162 0.3948
448.45 0.0535 0.4998 0.0066 0.4955
459.65 0.3934 0.1935 0.0837 0.2318
452.53 0.1741 0.4388 0.0314 0.4673
466.90 0.5487 0.1102 0.1417 0.1602
456.52 0.2852 0.3768 0.0625 0.4427
465.58 0.4954 0.1930 0.1209 0.2823
459.11 0.3451 0.3644 0.0703 0.4678
480.62 0.7148 0.0401 0.2423 0.0835
467.03 0.4989 0.2675 0.1232 0.4196
469.82 0.5754 0.2353 0.1560 0.4184
456.44 0.2554 0.5486 0.0512 0.6675
489.31 0.7808 0.0644 0.3314 0.1735
463.67 0.4115 0.4459 0.0957 0.6598
461.13 0.3577 0.5096 0.0819 0.7185
458.50 0.2921 0.6018 0.0604 0.7888
460.13 0.3301 0.5788 0.0732 0.7949
494.79 0.8194 0.1165 0.3937 0.3654
483.48 0.7086 0.2315 0.2675 0.5955
477.51 0.6335 0.3243 0.2058 0.7145

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 101.33 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Caryophyllene (2) - Liquid Mole fraction of p-Cymene (3) - Liquid Mole fraction of Caryophyllene (2) - Gas Mole fraction of p-Cymene (3) - Gas
449.27 0.1394 0.1585 0.0286 0.1385
448.04 0.0643 0.2599 0.0116 0.2343
447.11 0.0319 0.3525 0.0062 0.3252
453.18 0.2712 0.1548 0.0498 0.1535
452.05 0.2014 0.2555 0.0351 0.2547
449.97 0.1115 0.3973 0.0162 0.3948
448.45 0.0535 0.4998 0.0066 0.4955
459.65 0.3934 0.1935 0.0837 0.2318
452.53 0.1741 0.4388 0.0314 0.4673
466.90 0.5487 0.1102 0.1417 0.1602
456.52 0.2852 0.3768 0.0625 0.4427
465.58 0.4954 0.1930 0.1209 0.2823
459.11 0.3451 0.3644 0.0703 0.4678
480.62 0.7148 0.0401 0.2423 0.0835
467.03 0.4989 0.2675 0.1232 0.4196
469.82 0.5754 0.2353 0.1560 0.4184
456.44 0.2554 0.5486 0.0512 0.6675
489.31 0.7808 0.0644 0.3314 0.1735
463.67 0.4115 0.4459 0.0957 0.6598
461.13 0.3577 0.5096 0.0819 0.7185
458.50 0.2921 0.6018 0.0604 0.7888
460.13 0.3301 0.5788 0.0732 0.7949
494.79 0.8194 0.1165 0.3937 0.3654
483.48 0.7086 0.2315 0.2675 0.5955
477.51 0.6335 0.3243 0.2058 0.7145

Sources